methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enyl-amino]-3-methyl-3-sulfanyl-butanoate

Systemtic Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enyl-amino]-3-methyl-3-sulfanyl-butanoate Openeye Name: methyl 2-[allyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3-methyl-3-sulfanyl-butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enylamino]-3-mercapto-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enylamino]-3-methyl-3-sulfanylbutanoate Traditional Name: 2-[allyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3-mercapto-3-methyl-butyric acid methyl ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

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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)S

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5S2/c1-6-8-14-25-15-9-11-16(12-10-15)27(22,23)20(13-7-2)17(18(21)24-5)19(3,4)26/h7,9-12,17,26H,2,13-14H2,1,3-5H3