propan-2-yl 4-ethyl-5-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 4-ethyl-5-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: isopropyl 4-ethyl-5-methyl-2-[[(E)-3-(p-tolyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-ethyl-5-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[(E)-3-(p-tolyl)acryloyl]amino]thiophene-3-carboxylic acid isopropyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C=CC2=CC=C(C=C2)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)/C=C/C2=CC=C(C=C2)C)C

InChI

InChI=1S/C21H25NO3S/c1-6-17-15(5)26-20(19(17)21(24)25-13(2)3)22-18(23)12-11-16-9-7-14(4)8-10-16/h7-13H,6H2,1-5H3,(H,22,23)/b12-11+