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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H23N3O5S2/c1-12-4-6-15-17(8-12)33-21-19(15)20(24-11-25-21)32-10-18(27)26-16-9-13(22(28)30-2)5-7-14(16)23(29)31-3/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,26,27)