methyl 2-[[3-(3-methylbutyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[3-(3-methylbutyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[(3-isopentyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(3-methylbutyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[(3-isoamyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)OC)SC3=C2CCCC3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)OC)SC3=C2CCCC3

InChI

InChI=1S/C18H24N2O3S2/c1-11(2)8-9-20-17(22)15-12-6-4-5-7-13(12)25-16(15)19-18(20)24-10-14(21)23-3/h11H,4-10H2,1-3H3