methyl 5-[[4-methyl-2-[methyl(phenyl)amino]-1,3-thiazol-5-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[4-methyl-2-[methyl(phenyl)amino]-1,3-thiazol-5-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[4-methyl-2-(N-methylanilino)thiazole-5-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[4-methyl-2-(N-methylanilino)-5-thiazolyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[4-methyl-2-(N-methylanilino)thiazole-5-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N(C)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)N(C)C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC

InChI

InChI=1S/C22H19N3O3S2/c1-13-19(30-22(23-13)25(2)16-7-5-4-6-8-16)20(26)24-15-9-10-17-14(11-15)12-18(29-17)21(27)28-3/h4-12H,1-3H3,(H,24,26)