methyl 4,5-dimethyl-2-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(4-methyl-2-quinolin-1-iumyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(4-methylquinolin-1-ium-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H21N2O3S2+ MolecularWeight: 401.52234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c1-11-9-17(21-15-8-6-5-7-14(11)15)26-10-16(23)22-19-18(20(24)25-4)12(2)13(3)27-19/h5-9H,10H2,1-4H3,(H,22,23)/p+1