2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-5-ethyl-thiophene-3-carboxylic acid

Systemtic Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-5-ethyl-thiophene-3-carboxylic acid Openeye Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-5-ethyl-thiophene-3-carboxylic acid CAS Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-5-ethyl-3-thiophenecarboxylic acid IUPAC Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-5-ethylthiophene-3-carboxylic acid Traditional Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]-5-ethyl-3-thenoic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C=CC2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C18H19NO5S/c1-4-12-10-13(18(21)22)17(25-12)19-16(20)8-6-11-5-7-14(23-2)15(9-11)24-3/h5-10H,4H2,1-3H3,(H,19,20)(H,21,22)/b8-6+