2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-6-nitro-benzoic acid Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H18N2O7S/c1-2-28-19(25)15-10-6-3-4-9-13(10)29-17(15)20-16(22)11-7-5-8-12(21(26)27)14(11)18(23)24/h5,7-8H,2-4,6,9H2,1H3,(H,20,22)(H,23,24)