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

Systemtic Name: ethyl 2-[[5-(phenylsulfanylmethyl)furan-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H23NO4S2 MolecularWeight: 441.56302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO4S2/c1-2-27-23(26)20-17-10-6-7-11-19(17)30-22(20)24-21(25)18-13-12-15(28-18)14-29-16-8-4-3-5-9-16/h3-5,8-9,12-13H,2,6-7,10-11,14H2,1H3,(H,24,25)