ethyl 2-[2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(7-methoxy-4-methyl-quinolin-1-ium-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[(7-methoxy-4-methyl-2-quinolin-1-iumyl)thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(7-methoxy-4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[(7-methoxy-4-methyl-quinolin-1-ium-2-yl)thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C23H25N2O4S2+ MolecularWeight: 457.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=[NH+]C4=C(C=CC(=C4)OC)C(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=[NH+]C4=C(C=CC(=C4)OC)C(=C3)C

InChI

InChI=1S/C23H24N2O4S2/c1-4-29-23(27)21-16-6-5-7-18(16)31-22(21)25-19(26)12-30-20-10-13(2)15-9-8-14(28-3)11-17(15)24-20/h8-11H,4-7,12H2,1-3H3,(H,25,26)/p+1