methyl 4,5-dimethyl-2-[2-[[3-(2-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-[[3-(2-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-[[3-(o-tolyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[[3-(2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-[[3-(2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-keto-3-(o-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C27H27N3O4S3 MolecularWeight: 553.71598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C(=C(S4)C)C)C(=O)OC)SC5=C3CCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C(=C(S4)C)C)C(=O)OC)SC5=C3CCCC5

InChI

InChI=1S/C27H27N3O4S3/c1-14-9-5-7-11-18(14)30-25(32)22-17-10-6-8-12-19(17)37-24(22)29-27(30)35-13-20(31)28-23-21(26(33)34-4)15(2)16(3)36-23/h5,7,9,11H,6,8,10,12-13H2,1-4H3,(H,28,31)