2-[[5-[2-azanyl-3-cyano-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-[[5-[2-azanyl-3-cyano-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[[5-[2-amino-3-cyano-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide CAS Name: 2-[[5-[2-amino-3-cyano-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[[5-[2-amino-3-cyano-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide Traditional Name: 2-[[5-(2-amino-3-cyano-5-keto-7,7-dimethyl-4-p-phenetyl-6,8-dihydro-4H-quinolin-1-yl)-1,3,4-thiadiazol-2-yl]thio]-N-(2-fluorophenyl)acetamide Formula: C30H29FN6O3S2 MolecularWeight: 604.718063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC(=O)NC5=CC=CC=C5F)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC(=O)NC5=CC=CC=C5F)N)C#N

InChI

InChI=1S/C30H29FN6O3S2/c1-4-40-18-11-9-17(10-12-18)25-19(15-32)27(33)37(22-13-30(2,3)14-23(38)26(22)25)28-35-36-29(42-28)41-16-24(39)34-21-8-6-5-7-20(21)31/h5-12,25H,4,13-14,16,33H2,1-3H3,(H,34,39)