ethyl 4-[[C-(3-azanylidene-5-methyl-1,2-thiazol-2-yl)-N-(4-methylphenyl)carbonimidoyl]amino]benzoate

Systemtic Name: ethyl 4-[[C-(3-azanylidene-5-methyl-1,2-thiazol-2-yl)-N-(4-methylphenyl)carbonimidoyl]amino]benzoate Openeye Name: ethyl 4-[[C-(3-imino-5-methyl-isothiazol-2-yl)-N-(p-tolyl)carbonimidoyl]amino]benzoate CAS Name: 4-[[(3-imino-5-methyl-2-isothiazolyl)-(4-methylphenyl)iminomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[C-(3-imino-5-methyl-1,2-thiazol-2-yl)-N-(4-methylphenyl)carbonimidoyl]amino]benzoate Traditional Name: 4-[[C-(3-imino-5-methyl-4-isothiazolin-2-yl)-N-(p-tolyl)carbonimidoyl]amino]benzoic acid ethyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C)N3C(=N)C=C(S3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C)N3C(=N)C=C(S3)C

InChI

InChI=1S/C21H22N4O2S/c1-4-27-20(26)16-7-11-18(12-8-16)24-21(25-19(22)13-15(3)28-25)23-17-9-5-14(2)6-10-17/h5-13,22H,4H2,1-3H3,(H,23,24)