ethyl 6-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(4H-3,1-benzothiazin-2-ylthio)methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(4H-3,1-benzothiazin-2-ylthio)methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NC4=CC=CC=C4CS3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NC4=CC=CC=C4CS3

InChI

InChI=1S/C20H19N3O4S2/c1-2-26-18(24)16-14(21-19(25)23-17(16)15-8-5-9-27-15)11-29-20-22-13-7-4-3-6-12(13)10-28-20/h3-9,17H,2,10-11H2,1H3,(H2,21,23,25)