3-(4-methoxyphenyl)-2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-methoxyphenyl)-2-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-methoxyphenyl)-2-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-methoxyphenyl)-2-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-methoxyphenyl)-2-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(2-naphthyl)ethyl]thio]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C29H24N2O3S2 MolecularWeight: 512.64246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC5=CC=CC=C5C=C4)SC6=C3CCCC6

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC5=CC=CC=C5C=C4)SC6=C3CCCC6

InChI

InChI=1S/C29H24N2O3S2/c1-34-22-14-12-21(13-15-22)31-28(33)26-23-8-4-5-9-25(23)36-27(26)30-29(31)35-17-24(32)20-11-10-18-6-2-3-7-19(18)16-20/h2-3,6-7,10-16H,4-5,8-9,17H2,1H3