phenyl (E)-2-(4-dodecoxyphenyl)carbonyl-3-phenylazanyl-3-sulfanyl-prop-2-enoate

Systemtic Name: phenyl (E)-2-(4-dodecoxyphenyl)carbonyl-3-phenylazanyl-3-sulfanyl-prop-2-enoate Openeye Name: phenyl (E)-3-anilino-2-(4-dodecoxybenzoyl)-3-sulfanyl-prop-2-enoate CAS Name: (E)-3-anilino-2-[(4-dodecoxyphenyl)-oxomethyl]-3-mercapto-2-propenoic acid phenyl ester IUPAC Name: phenyl (E)-3-anilino-2-(4-dodecoxybenzoyl)-3-sulfanylprop-2-enoate Traditional Name: (E)-3-anilino-2-(4-lauryloxybenzoyl)-3-mercapto-acrylic acid phenyl ester Formula: C34H41NO4S MolecularWeight: 559.75864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)/C(=C(/NC2=CC=CC=C2)\S)/C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C34H41NO4S/c1-2-3-4-5-6-7-8-9-10-17-26-38-29-24-22-27(23-25-29)32(36)31(33(40)35-28-18-13-11-14-19-28)34(37)39-30-20-15-12-16-21-30/h11-16,18-25,35,40H,2-10,17,26H2,1H3/b33-31+