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

Systemtic Name: propyl 2-[(2-bromophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[(2-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(2-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C20H22BrNO3S MolecularWeight: 436.36258

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H22BrNO3S/c1-3-10-25-20(24)17-14-9-8-12(2)11-16(14)26-19(17)22-18(23)13-6-4-5-7-15(13)21/h4-7,12H,3,8-11H2,1-2H3,(H,22,23)