ethyl 4-[[4-oxidanylidene-3-phenethyl-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[4-oxidanylidene-3-phenethyl-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[4-oxo-3-phenethyl-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[6-[anilino(oxo)methyl]-4-oxo-3-phenethyl-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-oxo-3-phenethyl-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[4-keto-3-phenethyl-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid ethyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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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)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S/c1-2-35-27(34)21-13-15-23(16-14-21)30-28-31(18-17-20-9-5-3-6-10-20)25(32)19-24(36-28)26(33)29-22-11-7-4-8-12-22/h3-16,24H,2,17-19H2,1H3,(H,29,33)