dimethyl 5-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H23N3O5S2/c1-12-24-20(19-16-6-4-5-7-17(16)33-21(19)25-12)32-11-18(27)26-15-9-13(22(28)30-2)8-14(10-15)23(29)31-3/h8-10H,4-7,11H2,1-3H3,(H,26,27)