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

Systemtic Name: methyl 5-[(3-aminophenyl)carbamoyl]-4-methyl-2-[(2-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-[(3-aminophenyl)carbamoyl]-4-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[(3-aminoanilino)-oxomethyl]-4-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-aminophenyl)carbamoyl]-4-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-[(3-aminophenyl)carbamoyl]-4-methyl-2-(o-toluoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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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)N)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-12-7-4-5-10-16(12)19(26)25-21-17(22(28)29-3)13(2)18(30-21)20(27)24-15-9-6-8-14(23)11-15/h4-11H,23H2,1-3H3,(H,24,27)(H,25,26)