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

Systemtic Name: methyl 3-azanyl-4-(1,3-benzothiazol-2-yl)-5-[(3-chloranyl-2-methyl-phenyl)amino]thiophene-2-carboxylate Openeye Name: methyl 3-amino-4-(1,3-benzothiazol-2-yl)-5-(3-chloro-2-methyl-anilino)thiophene-2-carboxylate CAS Name: 3-amino-4-(1,3-benzothiazol-2-yl)-5-(3-chloro-2-methylanilino)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-(1,3-benzothiazol-2-yl)-5-(3-chloro-2-methylanilino)thiophene-2-carboxylate Traditional Name: 3-amino-4-(1,3-benzothiazol-2-yl)-5-(3-chloro-2-methyl-anilino)thiophene-2-carboxylic acid methyl ester Formula: C20H16ClN3O2S2 MolecularWeight: 429.94294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C(=C(S2)C(=O)OC)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C(=C(S2)C(=O)OC)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16ClN3O2S2/c1-10-11(21)6-5-8-12(10)23-19-15(16(22)17(28-19)20(25)26-2)18-24-13-7-3-4-9-14(13)27-18/h3-9,23H,22H2,1-2H3