methyl 4-[2-azanyl-1-[5-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-4-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-1-[5-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-1-[5-[2-(2-chloroanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-4-yl]benzoate CAS Name: 4-[2-amino-1-[5-[[2-(2-chloroanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-1-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-4-yl]benzoate Traditional Name: 4-[2-amino-1-[5-[[2-(2-chloroanilino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-cyano-5-keto-4,6,7,8-tetrahydroquinolin-4-yl]benzoic acid methyl ester Formula: C28H23ClN6O4S2 MolecularWeight: 607.10302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC=CC=C5Cl)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC(=O)NC5=CC=CC=C5Cl)N)C#N

InChI

InChI=1S/C28H23ClN6O4S2/c1-39-26(38)16-11-9-15(10-12-16)23-17(13-30)25(31)35(20-7-4-8-21(36)24(20)23)27-33-34-28(41-27)40-14-22(37)32-19-6-3-2-5-18(19)29/h2-3,5-6,9-12,23H,4,7-8,14,31H2,1H3,(H,32,37)