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

Systemtic Name: methyl 4-[2-azanyl-3-cyano-1-[5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-3-cyano-1-[5-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-oxo-4,6,7,8-tetrahydroquinolin-4-yl]benzoate CAS Name: 4-[2-amino-3-cyano-1-[5-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-5-oxo-4,6,7,8-tetrahydroquinolin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-cyano-1-[5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-oxo-4,6,7,8-tetrahydroquinolin-4-yl]benzoate Traditional Name: 4-[2-amino-3-cyano-5-keto-1-[5-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]-1,3,4-thiadiazol-2-yl]-4,6,7,8-tetrahydroquinolin-4-yl]benzoic acid methyl ester Formula: C26H23N7O5S2 MolecularWeight: 577.63472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)C(=O)OC)C(=O)CCC4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)C(=O)OC)C(=O)CCC4

InChI

InChI=1S/C26H23N7O5S2/c1-13-10-19(32-38-13)29-20(35)12-39-26-31-30-25(40-26)33-17-4-3-5-18(34)22(17)21(16(11-27)23(33)28)14-6-8-15(9-7-14)24(36)37-2/h6-10,21H,3-5,12,28H2,1-2H3,(H,29,32,35)