ethyl 2-(furan-2-ylcarbonylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: ethyl 2-(furan-2-ylcarbonylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-(furan-2-carbonylamino)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(furan-2-carbonylamino)-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-(2-furoylamino)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C18H23N2O4S+ MolecularWeight: 363.45122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)C(C)C)NC(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[NH+](C2)C(C)C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H22N2O4S/c1-4-23-18(22)15-12-7-8-20(11(2)3)10-14(12)25-17(15)19-16(21)13-6-5-9-24-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,19,21)/p+1