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

Systemtic Name: ethyl 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxidanylidene-3-(3-phenylpropyl)-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-carbethoxyphenyl)imino-4-keto-3-(3-phenylpropyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid ethyl ester Formula: C32H33N3O6S MolecularWeight: 587.68592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)C(=O)OCC)S2)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)C(=O)OCC)S2)CCCC4=CC=CC=C4

InChI

InChI=1S/C32H33N3O6S/c1-3-40-30(38)23-12-16-25(17-13-23)33-29(37)27-21-28(36)35(20-8-11-22-9-6-5-7-10-22)32(42-27)34-26-18-14-24(15-19-26)31(39)41-4-2/h5-7,9-10,12-19,27H,3-4,8,11,20-21H2,1-2H3,(H,33,37)