5-[2-[[5-[2-azanyl-3-cyano-4-(4-ethylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-[[5-[2-azanyl-3-cyano-4-(4-ethylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[[2-[[5-[2-amino-3-cyano-4-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[5-[2-amino-3-cyano-4-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[2-[[5-[2-amino-3-cyano-4-(4-ethylphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-[[5-[2-amino-3-cyano-4-(4-ethylphenyl)-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]-2-chloro-benzoic acid Formula: C29H25ClN6O4S2 MolecularWeight: 621.1296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC(=C(C=C5)Cl)C(=O)O)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC(=C(C=C5)Cl)C(=O)O)N)C#N

InChI

InChI=1S/C29H25ClN6O4S2/c1-2-15-6-8-16(9-7-15)24-19(13-31)26(32)36(21-4-3-5-22(37)25(21)24)28-34-35-29(42-28)41-14-23(38)33-17-10-11-20(30)18(12-17)27(39)40/h6-12,24H,2-5,14,32H2,1H3,(H,33,38)(H,39,40)