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

Systemtic Name: 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxidanylidene-3-phenethyl-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[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=C(C=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=C(C=C3)C(=O)O)CCC4=CC=CC=C4

InChI

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