methyl 4-[2-azanyl-3-cyano-1-[5-[2-[(2,4-dimethylphenyl)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-[(2,4-dimethylphenyl)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-(2,4-dimethylanilino)-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-(2,4-dimethylanilino)-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-(2,4-dimethylanilino)-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-1-[5-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-5-keto-4,6,7,8-tetrahydroquinolin-4-yl]benzoic acid methyl ester Formula: C30H28N6O4S2 MolecularWeight: 600.71112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)C(=O)OC)C(=O)CCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)C(=O)OC)C(=O)CCC4)C

InChI

InChI=1S/C30H28N6O4S2/c1-16-7-12-21(17(2)13-16)33-24(38)15-41-30-35-34-29(42-30)36-22-5-4-6-23(37)26(22)25(20(14-31)27(36)32)18-8-10-19(11-9-18)28(39)40-3/h7-13,25H,4-6,15,32H2,1-3H3,(H,33,38)