methyl 4-[2-[(Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoyl]oxyethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoyl]oxyethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(Z)-3-(m-tolyl)-2-(2-thienyl)prop-2-enoyl]oxyacetyl]amino]butanoate CAS Name: 4-[[2-[(Z)-3-(3-methylphenyl)-1-oxo-2-thiophen-2-ylprop-2-enoxy]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(Z)-3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoyl]oxyacetyl]amino]butanoate Traditional Name: 4-[[2-[(Z)-3-(m-tolyl)-2-(2-thienyl)acryloyl]oxyacetyl]amino]butyric acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(C2=CC=CS2)C(=O)OCC(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(\C2=CC=CS2)/C(=O)OCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C21H23NO5S/c1-15-6-3-7-16(12-15)13-17(18-8-5-11-28-18)21(25)27-14-19(23)22-10-4-9-20(24)26-2/h3,5-8,11-13H,4,9-10,14H2,1-2H3,(H,22,23)/b17-13+