[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-isobutyl-2-thienyl)amino]-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-[(3-carbethoxy-4-isobutyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H22ClNO5S2 MolecularWeight: 479.99678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H22ClNO5S2/c1-4-28-21(26)17-13(9-12(2)3)11-30-20(17)24-16(25)10-29-22(27)19-18(23)14-7-5-6-8-15(14)31-19/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,25)