methyl 5-[[(E)-3-(2,6-dimethoxyphenyl)prop-2-enoyl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[(E)-3-(2,6-dimethoxyphenyl)prop-2-enoyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[(E)-3-(2,6-dimethoxyphenyl)prop-2-enoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[(E)-3-(2,6-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(2,6-dimethoxyphenyl)prop-2-enoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(2,6-dimethoxyphenyl)acryloyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C=CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC

Isomeric SMILES

COC1=C(C(=CC=C1)OC)/C=C/C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC

InChI

InChI=1S/C21H19NO5S/c1-25-16-5-4-6-17(26-2)15(16)8-10-20(23)22-14-7-9-18-13(11-14)12-19(28-18)21(24)27-3/h4-12H,1-3H3,(H,22,23)/b10-8+