S-[3-(3-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl] 2,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[3-(3-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl] 2,4-dimethoxybenzenecarbothioate Openeye Name: S-[3-(m-tolyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl] 2,4-dimethoxybenzenecarbothioate CAS Name: 2,4-dimethoxybenzenecarbothioic acid S-[3-(3-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl] ester IUPAC Name: S-[3-(3-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl] 2,4-dimethoxybenzenecarbothioate Traditional Name: 2,4-dimethoxythiobenzoic acid S-[4-keto-3-(m-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl] ester Formula: C26H24N2O4S2 MolecularWeight: 492.60976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SC(=O)C4=C(C=C(C=C4)OC)OC)SC5=C3CCCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SC(=O)C4=C(C=C(C=C4)OC)OC)SC5=C3CCCC5

InChI

InChI=1S/C26H24N2O4S2/c1-15-7-6-8-16(13-15)28-24(29)22-19-9-4-5-10-21(19)33-23(22)27-26(28)34-25(30)18-12-11-17(31-2)14-20(18)32-3/h6-8,11-14H,4-5,9-10H2,1-3H3