2-[[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[[3-(3-chloro-2-methyl-phenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[[3-(3-chloro-2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[[3-(3-chloro-2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C26H23ClN4O5S2 MolecularWeight: 571.06762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC)SC5=C3CCCC5

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC)SC5=C3CCCC5

InChI

InChI=1S/C26H23ClN4O5S2/c1-14-17(27)7-5-8-19(14)30-25(33)23-16-6-3-4-9-21(16)38-24(23)29-26(30)37-13-22(32)28-18-12-15(31(34)35)10-11-20(18)36-2/h5,7-8,10-12H,3-4,6,9,13H2,1-2H3,(H,28,32)