butyl 2-[methylamino-[(3-nitrophenyl)methyl]carbamoyl]thiophene-3-carboxylate

Systemtic Name: butyl 2-[methylamino-[(3-nitrophenyl)methyl]carbamoyl]thiophene-3-carboxylate Openeye Name: butyl 2-[methylamino-[(3-nitrophenyl)methyl]carbamoyl]thiophene-3-carboxylate CAS Name: 2-[[methylamino-[(3-nitrophenyl)methyl]amino]-oxomethyl]-3-thiophenecarboxylic acid butyl ester IUPAC Name: butyl 2-[methylamino-[(3-nitrophenyl)methyl]carbamoyl]thiophene-3-carboxylate Traditional Name: 2-[methylamino-(3-nitrobenzyl)carbamoyl]thiophene-3-carboxylic acid butyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC=C1)C(=O)N(CC2=CC(=CC=C2)[N+](=O)[O-])NC

Isomeric SMILES

CCCCOC(=O)C1=C(SC=C1)C(=O)N(CC2=CC(=CC=C2)[N+](=O)[O-])NC

InChI

InChI=1S/C18H21N3O5S/c1-3-4-9-26-18(23)15-8-10-27-16(15)17(22)20(19-2)12-13-6-5-7-14(11-13)21(24)25/h5-8,10-11,19H,3-4,9,12H2,1-2H3