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

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

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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)CC4=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)CC4=CC=CC=C4

InChI

InChI=1S/C30H29N3O6S/c1-3-38-28(36)21-10-14-23(15-11-21)31-27(35)25-18-26(34)33(19-20-8-6-5-7-9-20)30(40-25)32-24-16-12-22(13-17-24)29(37)39-4-2/h5-17,25H,3-4,18-19H2,1-2H3,(H,31,35)