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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC(=C2)N)C)C(=O)OC

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC(=C2)N)C)C(=O)OC

InChI

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