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

Systemtic Name: (phenylmethyl) 2-(7-tert-butyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanoate Openeye Name: benzyl 2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-(7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetic acid benzyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3S/c1-23(2,3)16-9-10-17-18(11-16)29-21-20(17)22(27)25(14-24-21)12-19(26)28-13-15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3