methyl 2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCCC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCCC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C18H20N2O2S2/c1-3-13-11-14(17(21)22-2)16(24-13)19-18(23)20-10-6-8-12-7-4-5-9-15(12)20/h4-5,7,9,11H,3,6,8,10H2,1-2H3,(H,19,23)