methyl 2-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[(4-methyl-2-quinolin-1-iumyl)thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-methylquinolin-1-ium-2-yl)thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H21N2O3S2+ MolecularWeight: 413.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C21H20N2O3S2/c1-12-10-18(22-15-8-4-3-6-13(12)15)27-11-17(24)23-20-19(21(25)26-2)14-7-5-9-16(14)28-20/h3-4,6,8,10H,5,7,9,11H2,1-2H3,(H,23,24)/p+1