2-[(3-ethoxycarbonyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(3-ethoxycarbonyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[(3-ethoxycarbonyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[(3-ethoxycarbonyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(3-ethoxycarbonyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[(3-carbethoxy-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]-6-nitro-benzoic acid Formula: C19H19N3O7S MolecularWeight: 433.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H19N3O7S/c1-3-29-19(26)15-10-7-8-21(2)9-13(10)30-17(15)20-16(23)11-5-4-6-12(22(27)28)14(11)18(24)25/h4-6H,3,7-9H2,1-2H3,(H,20,23)(H,24,25)