methyl 3-azanyl-4-(1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-(1,3-benzothiazol-2-yl)-5-[(4-methylphenyl)amino]thiophene-2-carboxylate Openeye Name: methyl 3-amino-4-(1,3-benzothiazol-2-yl)-5-(4-methylanilino)thiophene-2-carboxylate CAS Name: 3-amino-4-(1,3-benzothiazol-2-yl)-5-(4-methylanilino)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-(1,3-benzothiazol-2-yl)-5-(4-methylanilino)thiophene-2-carboxylate Traditional Name: 3-amino-4-(1,3-benzothiazol-2-yl)-5-(p-toluidino)thiophene-2-carboxylic acid methyl ester Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)OC)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)OC)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O2S2/c1-11-7-9-12(10-8-11)22-18-15(16(21)17(27-18)20(24)25-2)19-23-13-5-3-4-6-14(13)26-19/h3-10,22H,21H2,1-2H3