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

Systemtic Name: ethyl 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxidanylidene-3-phenethyl-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethoxycarbonylphenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-carbethoxyphenyl)imino-4-keto-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid ethyl ester Formula: C31H31N3O6S MolecularWeight: 573.65934

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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)CCC4=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)CCC4=CC=CC=C4

InChI

InChI=1S/C31H31N3O6S/c1-3-39-29(37)22-10-14-24(15-11-22)32-28(36)26-20-27(35)34(19-18-21-8-6-5-7-9-21)31(41-26)33-25-16-12-23(13-17-25)30(38)40-4-2/h5-17,26H,3-4,18-20H2,1-2H3,(H,32,36)