methyl 5-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]thiophene-2-carboxylate Openeye Name: methyl 5-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]thiophene-2-carboxylate CAS Name: 5-[[4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-oxomethyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]thiophene-2-carboxylate Traditional Name: 5-[[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]carbamoyl]thiophene-2-carboxylic acid methyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(S3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(S3)C(=O)OC)C

InChI

InChI=1S/C19H17N3O3S2/c1-11-10-12(2)21-19(20-11)26-14-6-4-13(5-7-14)22-17(23)15-8-9-16(27-15)18(24)25-3/h4-10H,1-3H3,(H,22,23)