[1-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC(=O)C2=CC3=C(S2)CCCC3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC(=O)C2=CC3=C(S2)CCCC3)C#N)C

InChI

InChI=1S/C21H22N2O5S2/c1-4-27-21(26)17-11(2)14(10-22)19(30-17)23-18(24)12(3)28-20(25)16-9-13-7-5-6-8-15(13)29-16/h9,12H,4-8H2,1-3H3,(H,23,24)