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

Systemtic Name: 3-[[2-(4-ethoxycarbonylphenyl)imino-4-oxidanylidene-3-(phenylmethyl)-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-benzyl-2-(4-ethoxycarbonylphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(phenylmethyl)-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-benzyl-2-(4-ethoxycarbonylphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-benzyl-2-(4-carbethoxyphenyl)imino-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C28H25N3O6S MolecularWeight: 531.5796

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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)CC4=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)CC4=CC=CC=C4

InChI

InChI=1S/C28H25N3O6S/c1-2-37-27(36)19-11-13-21(14-12-19)30-28-31(17-18-7-4-3-5-8-18)24(32)16-23(38-28)25(33)29-22-10-6-9-20(15-22)26(34)35/h3-15,23H,2,16-17H2,1H3,(H,29,33)(H,34,35)