methyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17NO5S/c1-22-18(21)10-13(16-3-2-8-25-16)19-17(20)7-5-12-4-6-14-15(9-12)24-11-23-14/h2-9,13H,10-11H2,1H3,(H,19,20)/b7-5+