ethyl 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[5-(2-amino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[5-[(2-amino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[5-[(2-amino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C18H18N4O3S3 MolecularWeight: 434.55552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(S3)SCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(S3)SCC(=O)N)C

InChI

InChI=1S/C18H18N4O3S3/c1-3-25-16(24)15-10(2)11-6-4-5-7-12(11)20-13(15)8-26-17-21-22-18(28-17)27-9-14(19)23/h4-7H,3,8-9H2,1-2H3,(H2,19,23)