methyl 3-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonyl)amino]benzoate Traditional Name: 3-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonyl)amino]benzoic acid methyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCSC3)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCSC3)N4C=CC=C4

InChI

InChI=1S/C20H18N2O3S2/c1-25-20(24)13-5-4-6-14(11-13)21-18(23)17-15-7-10-26-12-16(15)27-19(17)22-8-2-3-9-22/h2-6,8-9,11H,7,10,12H2,1H3,(H,21,23)