methyl 4-(4-oxidanylidene-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)cyclohexane-1-carboxylate

Systemtic Name: methyl 4-(4-oxidanylidene-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)cyclohexane-1-carboxylate Openeye Name: methyl 4-(4-oxo-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)cyclohexanecarboxylate CAS Name: 4-(4-oxo-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-oxo-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(4-keto-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)cyclohexanecarboxylic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C2=NC3=C(C4=CC=CC=C4S3)C(=O)N2

Isomeric SMILES

COC(=O)C1CCC(CC1)C2=NC3=C(C4=CC=CC=C4S3)C(=O)N2

InChI

InChI=1S/C18H18N2O3S/c1-23-18(22)11-8-6-10(7-9-11)15-19-16(21)14-12-4-2-3-5-13(12)24-17(14)20-15/h2-5,10-11H,6-9H2,1H3,(H,19,20,21)