[1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(2-bromophenyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(2-bromoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-bromoanilino)-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(2-bromophenyl)carbamoyl]propyl ester Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C19H20BrNO3S/c1-2-15(18(22)21-14-9-5-4-8-13(14)20)24-19(23)17-11-12-7-3-6-10-16(12)25-17/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3,(H,21,22)