methyl 4-[2-azanyl-3-cyano-1-[5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinolin-4-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-3-cyano-1-[5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinolin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-3-cyano-1-[5-(2-methoxy-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-4-yl]benzoate CAS Name: 4-[2-amino-3-cyano-1-[5-[(2-methoxy-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-cyano-1-[5-(2-methoxy-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-4-yl]benzoate Traditional Name: 4-[2-amino-3-cyano-5-keto-1-[5-[(2-keto-2-methoxy-ethyl)thio]-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-6,8-dihydro-4H-quinolin-4-yl]benzoic acid methyl ester Formula: C25H25N5O5S2 MolecularWeight: 539.6265

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)OC)N)C#N)C4=CC=C(C=C4)C(=O)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)OC)N)C#N)C4=CC=C(C=C4)C(=O)OC)C(=O)C1)C

InChI

InChI=1S/C25H25N5O5S2/c1-25(2)9-16-20(17(31)10-25)19(13-5-7-14(8-6-13)22(33)35-4)15(11-26)21(27)30(16)23-28-29-24(37-23)36-12-18(32)34-3/h5-8,19H,9-10,12,27H2,1-4H3