(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-propan-2-ylbenzoate

Systemtic Name: (4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-propan-2-ylbenzoate Openeye Name: (4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid (4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid (4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)OCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

InChI

InChI=1S/C21H22N2O3S/c1-12(2)13-7-9-14(10-8-13)21(25)26-11-17-22-19(24)18-15-5-3-4-6-16(15)27-20(18)23-17/h7-10,12H,3-6,11H2,1-2H3,(H,22,23,24)