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

Systemtic Name: methyl 2-[[5-(phenylsulfanylmethyl)furan-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[5-[(phenylthio)methyl]-2-furanyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-[(phenylthio)methyl]-2-furoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)CSC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)CSC4=CC=CC=C4

InChI

InChI=1S/C22H21NO4S2/c1-26-22(25)19-16-9-5-6-10-18(16)29-21(19)23-20(24)17-12-11-14(27-17)13-28-15-7-3-2-4-8-15/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3,(H,23,24)