methyl 4-methyl-2-[(3-nitrophenyl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(3-nitrophenyl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-4-methyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O5S/c1-13-17(11-14-7-4-3-5-8-14)29-20(18(13)21(25)28-2)22-19(24)15-9-6-10-16(12-15)23(26)27/h3-10,12H,11H2,1-2H3,(H,22,24)