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

Systemtic Name: [1-(diphenylamino)-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-(diphenylcarbamoyl)propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-oxo-1-(N-phenylanilino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(N-phenylanilino)butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-(diphenylcarbamoyl)propyl ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C25H25NO3S/c1-2-21(29-25(28)23-17-18-11-9-10-16-22(18)30-23)24(27)26(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-8,12-15,17,21H,2,9-11,16H2,1H3