[4-[(4R)-7,7-dimethyl-5-oxidanylidene-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-4-yl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(4R)-7,7-dimethyl-5-oxidanylidene-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-4-yl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(4R)-7,7-dimethyl-5-oxo-2-thioxo-3,4,6,8-tetrahydro-1H-quinazolin-4-yl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(4R)-7,7-dimethyl-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-4-yl]phenyl] ester IUPAC Name: [4-[(4R)-7,7-dimethyl-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-4-yl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(4R)-5-keto-7,7-dimethyl-2-thioxo-3,4,6,8-tetrahydro-1H-quinazolin-4-yl]phenyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC(=S)N2)C3=CC=C(C=C3)OC(=O)C4=CN=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](NC(=S)N2)C3=CC=C(C=C3)OC(=O)C4=CN=CC=C4)C(=O)C1)C

InChI

InChI=1S/C22H21N3O3S/c1-22(2)10-16-18(17(26)11-22)19(25-21(29)24-16)13-5-7-15(8-6-13)28-20(27)14-4-3-9-23-12-14/h3-9,12,19H,10-11H2,1-2H3,(H2,24,25,29)/t19-/m1/s1