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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC(C)C

InChI

InChI=1S/C21H24N2O5S/c1-12(2)28-21(25)18-15-8-5-4-6-11-17(15)29-20(18)22-19(24)14-9-7-10-16(13(14)3)23(26)27/h7,9-10,12H,4-6,8,11H2,1-3H3,(H,22,24)