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

Systemtic Name: methyl 4-[[3-ethyl-4-oxidanylidene-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate Openeye Name: methyl 4-[[3-ethyl-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate CAS Name: 4-[[6-[anilino(oxo)methyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-ethyl-4-oxo-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoate Traditional Name: 4-[[3-ethyl-4-keto-6-(phenylcarbamoyl)-1,3-thiazinan-2-ylidene]amino]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-3-24-18(25)13-17(19(26)22-15-7-5-4-6-8-15)29-21(24)23-16-11-9-14(10-12-16)20(27)28-2/h4-12,17H,3,13H2,1-2H3,(H,22,26)