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

Systemtic Name: methyl 5-[(3-aminophenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-[(3-aminophenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-[(3-aminoanilino)-oxomethyl]-4-methyl-2-[(2-methyl-1-oxopropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-aminophenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate Traditional Name: 5-[(3-aminophenyl)carbamoyl]-2-(isobutyrylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)C)C(=O)NC2=CC=CC(=C2)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)C)C(=O)NC2=CC=CC(=C2)N

InChI

InChI=1S/C18H21N3O4S/c1-9(2)15(22)21-17-13(18(24)25-4)10(3)14(26-17)16(23)20-12-7-5-6-11(19)8-12/h5-9H,19H2,1-4H3,(H,20,23)(H,21,22)