ethyl 2-[3-(2,5-dimethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(2,5-dimethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2,5-dimethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(2,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2,5-dimethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(2,5-dimethoxyphenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H25NO5S/c1-4-28-22(25)20-16-7-5-6-8-18(16)29-21(20)23-19(24)12-9-14-13-15(26-2)10-11-17(14)27-3/h9-13H,4-8H2,1-3H3,(H,23,24)