methyl 2-[[2-cyano-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-cyano-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-cyano-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-(3-methoxy-4-pentoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(4-amoxy-3-methoxy-phenyl)-2-cyano-acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC

InChI

InChI=1S/C26H30N2O5S/c1-4-5-8-13-33-20-12-11-17(15-21(20)31-2)14-18(16-27)24(29)28-25-23(26(30)32-3)19-9-6-7-10-22(19)34-25/h11-12,14-15H,4-10,13H2,1-3H3,(H,28,29)