methyl 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-2,4-bis(oxidanylidene)-1H-thieno[3,4-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-2,4-bis(oxidanylidene)-1H-thieno[3,4-d]pyrimidine-5-carboxylate Openeye Name: methyl 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-thienyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylate CAS Name: 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-thiophenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylate Traditional Name: 3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-thienyl]-2,4-diketo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid methyl ester Formula: C21H17N3O6S3 MolecularWeight: 503.57118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CS1)NC(=O)N(C2=O)C3=CC(=CS3)S(=O)(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=C2C(=CS1)NC(=O)N(C2=O)C3=CC(=CS3)S(=O)(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C21H17N3O6S3/c1-30-20(26)18-17-14(11-32-18)22-21(27)24(19(17)25)16-9-13(10-31-16)33(28,29)23-8-4-6-12-5-2-3-7-15(12)23/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,22,27)