5-[2-[[5-[2-azanyl-4-(4-chlorophenyl)-3-cyano-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-4-(4-chlorophenyl)-3-cyano-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-4-(4-chlorophenyl)-3-cyano-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-4-(4-chlorophenyl)-3-cyano-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-4-(4-chlorophenyl)-3-cyano-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-4-(4-chlorophenyl)-3-cyano-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]-2-chloro-benzoic acid Formula: C27H20Cl2N6O4S2 MolecularWeight: 627.5215

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)O)N)C#N)C5=CC=C(C=C5)Cl)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)O)N)C#N)C5=CC=C(C=C5)Cl)C(=O)C1

InChI

InChI=1S/C27H20Cl2N6O4S2/c28-14-6-4-13(5-7-14)22-17(11-30)24(31)35(19-2-1-3-20(36)23(19)22)26-33-34-27(41-26)40-12-21(37)32-15-8-9-18(29)16(10-15)25(38)39/h4-10,22H,1-3,12,31H2,(H,32,37)(H,38,39)