methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enyl-amino]-3-[[3-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enyl-amino]-4-methoxy-2-methyl-4-oxidanylidene-butan-2-yl]disulfanyl]-3-methyl-butanoate

Systemtic Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enyl-amino]-3-[[3-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enyl-amino]-4-methoxy-2-methyl-4-oxidanylidene-butan-2-yl]disulfanyl]-3-methyl-butanoate Openeye Name: methyl 2-[allyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3-[[2-[allyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3-methoxy-1,1-dimethyl-3-oxo-propyl]disulfanyl]-3-methyl-butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enylamino]-3-[[3-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enylamino]-4-methoxy-2-methyl-4-oxobutan-2-yl]disulfanyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enylamino]-3-[[3-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enylamino]-4-methoxy-2-methyl-4-oxobutan-2-yl]disulfanyl]-3-methylbutanoate Traditional Name: 2-[allyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3-[[2-[allyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3-keto-3-methoxy-1,1-dimethyl-propyl]disulfanyl]-3-methyl-butyric acid methyl ester Formula: C38H48N2O10S4 MolecularWeight: 821.05512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C(C(=O)OC)C(C)(C)SSC(C)(C)C(C(=O)OC)N(CC=C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C(C(=O)OC)C(C)(C)SSC(C)(C)C(C(=O)OC)N(CC=C)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C38H48N2O10S4/c1-11-15-27-49-29-17-21-31(22-18-29)53(43,44)39(25-13-3)33(35(41)47-9)37(5,6)51-52-38(7,8)34(36(42)48-10)40(26-14-4)54(45,46)32-23-19-30(20-24-32)50-28-16-12-2/h13-14,17-24,33-34H,3-4,25-28H2,1-2,5-10H3