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

Systemtic Name: methyl 6-propan-2-yl-2-(thiophen-2-ylcarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 6-isopropyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 6-propan-2-yl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-isopropyl-2-(2-thenoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C17H21N2O3S2+ MolecularWeight: 365.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N2O3S2/c1-10(2)19-7-6-11-13(9-19)24-16(14(11)17(21)22-3)18-15(20)12-5-4-8-23-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,20)/p+1