3-[[6-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-2-thiophen-2-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[6-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-2-thiophen-2-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[6-[(3-chlorobenzothiophene-2-carbonyl)amino]-2-(2-thienyl)hexanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[6-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxo-2-thiophen-2-ylhexyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[6-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2-thiophen-2-ylhexanoyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[6-[(3-chlorobenzothiophene-2-carbonyl)amino]-2-(2-thienyl)hexanoyl]amino]-4-keto-butyric acid Formula: C23H23ClN2O5S2 MolecularWeight: 507.02212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCCCCC(C3=CC=CS3)C(=O)NC(CC(=O)O)C=O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCCCCC(C3=CC=CS3)C(=O)NC(CC(=O)O)C=O)Cl

InChI

InChI=1S/C23H23ClN2O5S2/c24-20-15-6-1-2-8-18(15)33-21(20)23(31)25-10-4-3-7-16(17-9-5-11-32-17)22(30)26-14(13-27)12-19(28)29/h1-2,5-6,8-9,11,13-14,16H,3-4,7,10,12H2,(H,25,31)(H,26,30)(H,28,29)