2-[(3-acetamidophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: 2-[(3-acetamidophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 2-[(3-acetamidobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[(3-acetamidophenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 2-[(3-acetamidobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-[(3-acetamidobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)C[NH+](CC3)C)C(=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-10(22)19-12-5-3-4-11(8-12)16(23)20-17-15(18(24)25)13-6-7-21(2)9-14(13)26-17/h3-5,8H,6-7,9H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)