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

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

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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)N)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-2-28-20(27)15-8-10-16(11-9-15)23-21-24(13-14-6-4-3-5-7-14)18(25)12-17(29-21)19(22)26/h3-11,17H,2,12-13H2,1H3,(H2,22,26)