ethyl 2-[2-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: ethyl 2-[2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)sulfanyl]propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)thio]-1-oxopropyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[2-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)thio]propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O5S3 MolecularWeight: 554.70074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C(C)SC4=C(C(=C(S4)C(=O)OCC)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C(C)SC4=C(C(=C(S4)C(=O)OCC)C)C#N

InChI

InChI=1S/C27H26N2O5S3/c1-5-33-25(31)20-18-12-11-16-9-7-8-10-17(16)22(18)36-24(20)29-23(30)15(4)35-27-19(13-28)14(3)21(37-27)26(32)34-6-2/h7-10,15H,5-6,11-12H2,1-4H3,(H,29,30)