6-ethyl-2-(phenylcarbamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: 6-ethyl-2-(phenylcarbamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-ethyl-2-(phenylcarbamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[anilino(oxo)methyl]amino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-ethyl-2-(phenylcarbamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-(phenylcarbamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H19N3O3S/c1-2-20-9-8-12-13(10-20)24-15(14(12)16(21)22)19-17(23)18-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,21,22)(H2,18,19,23)