methyl (E)-2-acetamido-7,11-bis(oxidanyl)-4-phenyl-3-sulfanyl-undec-4-enoate

Systemtic Name: methyl (E)-2-acetamido-7,11-bis(oxidanyl)-4-phenyl-3-sulfanyl-undec-4-enoate Openeye Name: methyl (E)-2-acetamido-7,11-dihydroxy-4-phenyl-3-sulfanyl-undec-4-enoate CAS Name: (E)-2-acetamido-7,11-dihydroxy-3-mercapto-4-phenyl-4-undecenoic acid methyl ester IUPAC Name: methyl (E)-2-acetamido-7,11-dihydroxy-4-phenyl-3-sulfanylundec-4-enoate Traditional Name: (E)-2-acetamido-7,11-dihydroxy-3-mercapto-4-phenyl-undec-4-enoic acid methyl ester Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C(=CCC(CCCCO)O)C1=CC=CC=C1)S)C(=O)OC

Isomeric SMILES

CC(=O)NC(C(/C(=C/CC(CCCCO)O)/C1=CC=CC=C1)S)C(=O)OC

InChI

InChI=1S/C20H29NO5S/c1-14(23)21-18(20(25)26-2)19(27)17(15-8-4-3-5-9-15)12-11-16(24)10-6-7-13-22/h3-5,8-9,12,16,18-19,22,24,27H,6-7,10-11,13H2,1-2H3,(H,21,23)/b17-12+