(6-cyano-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 4-tert-butylbenzoate

Systemtic Name: (6-cyano-4-oxidanylidene-1,3-diphenyl-2-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl) 4-tert-butylbenzoate Openeye Name: (6-cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (6-cyano-4-oxo-1,3-diphenyl-2-sulfanylidene-5-thieno[2,3-d]pyrimidinyl) ester IUPAC Name: (6-cyano-4-oxo-1,3-diphenyl-2-sulfanylidenethieno[2,3-d]pyrimidin-5-yl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (6-cyano-4-keto-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) ester Formula: C30H23N3O3S2 MolecularWeight: 537.65192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C30H23N3O3S2/c1-30(2,3)20-16-14-19(15-17-20)28(35)36-25-23(18-31)38-27-24(25)26(34)32(21-10-6-4-7-11-21)29(37)33(27)22-12-8-5-9-13-22/h4-17H,1-3H3