ethyl 2-[[6-methyl-1-(2-methylphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-yl]carbonylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[6-methyl-1-(2-methylphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-yl]carbonylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[6-methyl-1-(o-tolyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carbonyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[[2-mercapto-6-methyl-1-(2-methylphenyl)-3-imidazo[1,2-a]pyridin-4-iumyl]-oxomethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-methyl-1-(2-methylphenyl)-2-sulfanylimidazo[1,2-a]pyridin-4-ium-3-carbonyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-mercapto-6-methyl-1-(o-tolyl)imidazo[1,2-a]pyridin-4-ium-3-carbonyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H24N3O3S3+ MolecularWeight: 534.69276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C3=C(N(C4=[N+]3C=C(C=C4)C)C5=CC=CC=C5C)S

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C3=C(N(C4=[N+]3C=C(C=C4)C)C5=CC=CC=C5C)S

InChI

InChI=1S/C27H23N3O3S3/c1-4-33-27(32)22-18(20-10-7-13-35-20)15-36-25(22)28-24(31)23-26(34)30(19-9-6-5-8-17(19)3)21-12-11-16(2)14-29(21)23/h5-15H,4H2,1-3H3,(H-,28,31,32,34)/p+1