ethyl 2-[3-[3-[(3-ethoxycarbonyl-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-[3-[(3-ethoxycarbonyl-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[3-[(3-ethoxycarbonylbenzothiophen-2-yl)amino]-3-oxo-propyl]sulfanylpropanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[3-[[3-[(3-ethoxycarbonyl-1-benzothiophen-2-yl)amino]-3-oxopropyl]thio]-1-oxopropyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-[(3-ethoxycarbonyl-1-benzothiophen-2-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[[3-[(3-carbethoxybenzothiophen-2-yl)amino]-3-keto-propyl]thio]propanoylamino]benzothiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O6S3 MolecularWeight: 584.72672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCSCCC(=O)NC3=C(C4=CC=CC=C4S3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCSCCC(=O)NC3=C(C4=CC=CC=C4S3)C(=O)OCC

InChI

InChI=1S/C28H28N2O6S3/c1-3-35-27(33)23-17-9-5-7-11-19(17)38-25(23)29-21(31)13-15-37-16-14-22(32)30-26-24(28(34)36-4-2)18-10-6-8-12-20(18)39-26/h5-12H,3-4,13-16H2,1-2H3,(H,29,31)(H,30,32)