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

Systemtic Name: 2-[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-nitro-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-2-nitro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-2-nitrophenyl]thio]acetic acid IUPAC Name: 2-[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-nitrophenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-2-nitro-phenyl]thio]acetic acid Formula: C20H20N2O7S2 MolecularWeight: 464.512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7S2/c1-2-29-20(26)17-12-5-3-4-6-14(12)31-19(17)21-18(25)11-7-8-15(30-10-16(23)24)13(9-11)22(27)28/h7-9H,2-6,10H2,1H3,(H,21,25)(H,23,24)