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

Systemtic Name: ethyl 4-[[(3-azanylidene-5-methyl-1,2-thiazol-2-yl)-[(3-methylsulfanylphenyl)amino]methylidene]amino]benzoate Openeye Name: ethyl 4-[[(3-imino-5-methyl-isothiazol-2-yl)-(3-methylsulfanylanilino)methylene]amino]benzoate CAS Name: 4-[[(3-imino-5-methyl-2-isothiazolyl)-[3-(methylthio)anilino]methylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-imino-5-methyl-1,2-thiazol-2-yl)-(3-methylsulfanylanilino)methylidene]amino]benzoate Traditional Name: 4-[[(3-imino-5-methyl-4-isothiazolin-2-yl)-[3-(methylthio)anilino]methylene]amino]benzoic acid ethyl ester Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S2/c1-4-27-20(26)15-8-10-16(11-9-15)23-21(25-19(22)12-14(2)29-25)24-17-6-5-7-18(13-17)28-3/h5-13,22H,4H2,1-3H3,(H,23,24)