3-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]quinoxaline-2-carboxylic acid

Systemtic Name: 3-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]quinoxaline-2-carboxylic acid Openeye Name: 3-[(3-carboxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]quinoxaline-2-carboxylic acid CAS Name: 3-[[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]quinoxaline-2-carboxylic acid Traditional Name: 3-[(3-carboxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]quinoxaline-2-carboxylic acid Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC4=CC=CC=C4N=C3C(=O)O)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC4=CC=CC=C4N=C3C(=O)O)C(=O)O

InChI

InChI=1S/C19H15N3O5S/c23-16(14-15(19(26)27)21-11-7-3-2-6-10(11)20-14)22-17-13(18(24)25)9-5-1-4-8-12(9)28-17/h2-3,6-7H,1,4-5,8H2,(H,22,23)(H,24,25)(H,26,27)