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

Systemtic Name: ethyl 6-ethyl-2-[[5-(phenylsulfanylmethyl)furan-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[oxo-[5-[(phenylthio)methyl]-2-furanyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[[5-[(phenylthio)methyl]-2-furoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H27NO4S2 MolecularWeight: 469.61618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC=C(O3)CSC4=CC=CC=C4

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC=C(O3)CSC4=CC=CC=C4

InChI

InChI=1S/C25H27NO4S2/c1-3-16-10-12-19-21(14-16)32-24(22(19)25(28)29-4-2)26-23(27)20-13-11-17(30-20)15-31-18-8-6-5-7-9-18/h5-9,11,13,16H,3-4,10,12,14-15H2,1-2H3,(H,26,27)