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

Systemtic Name: methyl 2-(cyclohexylcarbonylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4-methyl-5-[(3-nitroanilino)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-(cyclohexanecarbonylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylic acid methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCCCC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCCCC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6S/c1-12-16(21(27)30-2)20(23-18(25)13-7-4-3-5-8-13)31-17(12)19(26)22-14-9-6-10-15(11-14)24(28)29/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,22,26)(H,23,25)