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

Systemtic Name: pentyl 2-[[4-oxidanylidene-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: pentyl 2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[[4-oxo-3-(phenylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetic acid pentyl ester IUPAC Name: pentyl 2-[(3-benzyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-benzyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetic acid amyl ester Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3S2/c1-2-3-9-14-29-20(27)16-30-24-25-22-21(18-12-7-8-13-19(18)31-22)23(28)26(24)15-17-10-5-4-6-11-17/h4-6,10-11H,2-3,7-9,12-16H2,1H3