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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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