propyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: propyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: propyl 2-[(3-methyl-4-nitro-benzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(3-methyl-4-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N2O5S/c1-3-11-28-21(25)18-15-7-5-4-6-8-17(15)29-20(18)22-19(24)14-9-10-16(23(26)27)13(2)12-14/h9-10,12H,3-8,11H2,1-2H3,(H,22,24)