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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enyl-amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[allyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enylamino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-prop-2-enylamino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[allyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3-mercapto-3-methyl-butyric acid Formula: C18H23NO5S2 MolecularWeight: 397.50892

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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)O)C(C)(C)S

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5S2/c1-5-7-13-24-14-8-10-15(11-9-14)26(22,23)19(12-6-2)16(17(20)21)18(3,4)25/h6,8-11,16,25H,2,12-13H2,1,3-4H3,(H,20,21)