2-[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C32H31N3O3S2 MolecularWeight: 569.73684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3C6=CC=CC=C6)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3C6=CC=CC=C6)C

InChI

InChI=1S/C32H31N3O3S2/c1-4-38-24-16-14-23(15-17-24)34-20(2)18-26(21(34)3)27(36)19-39-32-33-30-29(25-12-8-9-13-28(25)40-30)31(37)35(32)22-10-6-5-7-11-22/h5-7,10-11,14-18H,4,8-9,12-13,19H2,1-3H3