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

Systemtic Name: methyl 2-[2-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H24N2O5S3 MolecularWeight: 540.67416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SC(C)C(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SC(C)C(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)OC)C#N)C

InChI

InChI=1S/C26H24N2O5S3/c1-5-33-25(31)20-13(2)18(12-27)26(36-20)34-14(3)22(29)28-23-19(24(30)32-4)17-11-10-15-8-6-7-9-16(15)21(17)35-23/h6-9,14H,5,10-11H2,1-4H3,(H,28,29)