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

Systemtic Name: methyl 2-(butanoylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 2-(butanoylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate CAS Name: 4-methyl-5-[(3-nitroanilino)-oxomethyl]-2-(1-oxobutylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(butanoylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-butyramido-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylic acid methyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)OC

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)OC

InChI

InChI=1S/C18H19N3O6S/c1-4-6-13(22)20-17-14(18(24)27-3)10(2)15(28-17)16(23)19-11-7-5-8-12(9-11)21(25)26/h5,7-9H,4,6H2,1-3H3,(H,19,23)(H,20,22)