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

Systemtic Name: 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxidanylidene-3-(3-phenylpropyl)-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-(4-carbethoxyphenyl)imino-4-keto-3-(3-phenylpropyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C30H29N3O6S MolecularWeight: 559.63276

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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)CCCC4=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)CCCC4=CC=CC=C4

InChI

InChI=1S/C30H29N3O6S/c1-2-39-29(38)22-12-16-24(17-13-22)32-30-33(18-6-9-20-7-4-3-5-8-20)26(34)19-25(40-30)27(35)31-23-14-10-21(11-15-23)28(36)37/h3-5,7-8,10-17,25H,2,6,9,18-19H2,1H3,(H,31,35)(H,36,37)