ethyl 2-[[4-(phenylsulfanylmethyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(phenylsulfanylmethyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[4-[(phenylthio)methyl]phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(phenylsulfanylmethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-[(phenylthio)methyl]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H25NO3S2 MolecularWeight: 451.6009

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C25H25NO3S2/c1-2-29-25(28)22-20-10-6-7-11-21(20)31-24(22)26-23(27)18-14-12-17(13-15-18)16-30-19-8-4-3-5-9-19/h3-5,8-9,12-15H,2,6-7,10-11,16H2,1H3,(H,26,27)