methyl 4-[[(3-azanylidene-5-methyl-1,2-thiazol-2-yl)-[(3-methylphenyl)amino]methylidene]amino]benzoate

Systemtic Name: methyl 4-[[(3-azanylidene-5-methyl-1,2-thiazol-2-yl)-[(3-methylphenyl)amino]methylidene]amino]benzoate Openeye Name: methyl 4-[[(3-imino-5-methyl-isothiazol-2-yl)-(3-methylanilino)methylene]amino]benzoate CAS Name: 4-[[(3-imino-5-methyl-2-isothiazolyl)-(3-methylanilino)methylidene]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-imino-5-methyl-1,2-thiazol-2-yl)-(3-methylanilino)methylidene]amino]benzoate Traditional Name: 4-[[(3-imino-5-methyl-4-isothiazolin-2-yl)-(m-toluidino)methylene]amino]benzoic acid methyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC2=CC=C(C=C2)C(=O)OC)N3C(=N)C=C(S3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=NC2=CC=C(C=C2)C(=O)OC)N3C(=N)C=C(S3)C

InChI

InChI=1S/C20H20N4O2S/c1-13-5-4-6-17(11-13)23-20(24-18(21)12-14(2)27-24)22-16-9-7-15(8-10-16)19(25)26-3/h4-12,21H,1-3H3,(H,22,23)