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

Systemtic Name: propan-2-yl 2-[(3-bromophenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-[(3-bromobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(3-bromobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(3-bromobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrNO3S/c1-12(2)25-20(24)17-15-9-4-3-5-10-16(15)26-19(17)22-18(23)13-7-6-8-14(21)11-13/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,22,23)