methyl 2-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H20N3O4S+ MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C18H19N3O4S/c1-25-18(24)15-12-6-2-3-7-13(12)26-17(15)20-14(22)10-21-8-4-5-11(9-21)16(19)23/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2-,19,20,22,23,24)/p+1