3-[[2-(4-ethoxycarbonylphenyl)imino-4-oxidanylidene-3-phenethyl-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-(4-ethoxycarbonylphenyl)imino-4-oxidanylidene-3-phenethyl-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(4-carbethoxyphenyl)imino-4-keto-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C29H27N3O6S MolecularWeight: 545.60618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O6S/c1-2-38-28(37)20-11-13-22(14-12-20)31-29-32(16-15-19-7-4-3-5-8-19)25(33)18-24(39-29)26(34)30-23-10-6-9-21(17-23)27(35)36/h3-14,17,24H,2,15-16,18H2,1H3,(H,30,34)(H,35,36)