ethyl 9-methylsulfanyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylate

Systemtic Name: ethyl 9-methylsulfanyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylate Openeye Name: ethyl 9-methylsulfanyl-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylate CAS Name: 9-(methylthio)-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylic acid ethyl ester IUPAC Name: ethyl 9-methylsulfanyl-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylate Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazoline-7-carboxylic acid ethyl ester Formula: C22H19N3O5S3 MolecularWeight: 501.59836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCC3=CN=C(N=C3C2=C(S1)SC)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C2CCC3=CN=C(N=C3C2=C(S1)SC)SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S3/c1-3-30-20(27)19-15-8-7-13-10-23-22(24-18(13)17(15)21(31-2)33-19)32-11-16(26)12-5-4-6-14(9-12)25(28)29/h4-6,9-10H,3,7-8,11H2,1-2H3