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

Systemtic Name: [1-oxidanylidene-1-[(4-phenoxyphenyl)amino]butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(4-phenoxyphenyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-oxo-1-(4-phenoxyanilino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenoxyanilino)butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(4-phenoxyphenyl)carbamoyl]propyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C25H25NO4S/c1-2-21(30-25(28)23-16-17-8-6-7-11-22(17)31-23)24(27)26-18-12-14-20(15-13-18)29-19-9-4-3-5-10-19/h3-5,9-10,12-16,21H,2,6-8,11H2,1H3,(H,26,27)