2-azanyl-1-[5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-[5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-[5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-(5-methyl-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-[5-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-(5-methyl-2-thiophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-1-[5-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]-7,7-dimethyl-4-(5-methyl-2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C28H27N5O3S3 MolecularWeight: 577.74068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC(=O)C5=CC=C(C=C5)OC)N)C#N

Isomeric SMILES

CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC(=O)C5=CC=C(C=C5)OC)N)C#N

InChI

InChI=1S/C28H27N5O3S3/c1-15-5-10-22(38-15)23-18(13-29)25(30)33(19-11-28(2,3)12-20(34)24(19)23)26-31-32-27(39-26)37-14-21(35)16-6-8-17(36-4)9-7-16/h5-10,23H,11-12,14,30H2,1-4H3