methyl 4-methyl-2-[(2-methylphenyl)carbonylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(2-methylphenyl)carbonylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 4-methyl-2-[(2-methylbenzoyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(2-methylbenzoyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-(o-toluoylamino)-5-(phenylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C(=C(S2)C(=O)NC3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C(=C(S2)C(=O)NC3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C22H20N2O4S/c1-13-9-7-8-12-16(13)19(25)24-21-17(22(27)28-3)14(2)18(29-21)20(26)23-15-10-5-4-6-11-15/h4-12H,1-3H3,(H,23,26)(H,24,25)