2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamoyl]benzoate

Systemtic Name: 2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamoyl]benzoate Openeye Name: 2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamoyl]benzoate CAS Name: 2-[[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-oxomethyl]benzoate IUPAC Name: 2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamoyl]benzoate Traditional Name: 2-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamoyl]benzoate Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)C)NC(=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)C)NC(=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-3-26-19(25)15-13-8-9-21(2)10-14(13)27-17(15)20-16(22)11-6-4-5-7-12(11)18(23)24/h4-7H,3,8-10H2,1-2H3,(H,20,22)(H,23,24)