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

Systemtic Name: methyl 4-methyl-2-[(3-nitrophenyl)carbonylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(3-nitrobenzoyl)amino]-5-(phenylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C21H17N3O6S MolecularWeight: 439.44118

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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-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H17N3O6S/c1-12-16(21(27)30-2)20(23-18(25)13-7-6-10-15(11-13)24(28)29)31-17(12)19(26)22-14-8-4-3-5-9-14/h3-11H,1-2H3,(H,22,26)(H,23,25)