[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C23H22N2O5S/c1-3-28-14-8-9-18-16(10-14)13(2)21(30-18)23(27)29-12-20(26)25-22-17(11-24)15-6-4-5-7-19(15)31-22/h8-10H,3-7,12H2,1-2H3,(H,25,26)