4-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-4-oxobutanoate IUPAC Name: 4-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-4-keto-butyrate Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)C)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)C)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C15H20N2O5S/c1-3-22-15(21)13-9-6-7-17(2)8-10(9)23-14(13)16-11(18)4-5-12(19)20/h3-8H2,1-2H3,(H,16,18)(H,19,20)