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

Systemtic Name: 3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]quinoxaline-2-carboxylic acid Openeye Name: 3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]quinoxaline-2-carboxylic acid CAS Name: 3-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]quinoxaline-2-carboxylic acid Traditional Name: 3-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]quinoxaline-2-carboxylic acid Formula: C21H19N3O5S MolecularWeight: 425.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC4=CC=CC=C4N=C3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC4=CC=CC=C4N=C3C(=O)O

InChI

InChI=1S/C21H19N3O5S/c1-2-29-21(28)15-11-7-3-6-10-14(11)30-19(15)24-18(25)16-17(20(26)27)23-13-9-5-4-8-12(13)22-16/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,24,25)(H,26,27)