propyl 2-[(3-bromophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl 2-[(3-bromophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[(3-bromobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(3-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-bromobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H20BrNO3S/c1-2-10-24-19(23)16-14-8-3-4-9-15(14)25-18(16)21-17(22)12-6-5-7-13(20)11-12/h5-7,11H,2-4,8-10H2,1H3,(H,21,22)