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

Systemtic Name: methyl 3-methyl-4-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)carbonylamino]benzoate Openeye Name: methyl 3-methyl-4-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonyl)amino]benzoate CAS Name: 3-methyl-4-[[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-methyl-4-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonyl)amino]benzoate Traditional Name: 3-methyl-4-[(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonyl)amino]benzoic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=C(SC3=C2CCSC3)N4C=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)C2=C(SC3=C2CCSC3)N4C=CC=C4

InChI

InChI=1S/C21H20N2O3S2/c1-13-11-14(21(25)26-2)5-6-16(13)22-19(24)18-15-7-10-27-12-17(15)28-20(18)23-8-3-4-9-23/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,22,24)