methyl 3-[[(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[(E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-1-oxoprop-2-enyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[(E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]acryloyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC(CC(=O)OC)C2=CC=CS2)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC(CC(=O)OC)C2=CC=CS2)OCC(=O)N

InChI

InChI=1S/C20H22N2O6S/c1-26-16-10-13(5-7-15(16)28-12-18(21)23)6-8-19(24)22-14(11-20(25)27-2)17-4-3-9-29-17/h3-10,14H,11-12H2,1-2H3,(H2,21,23)(H,22,24)/b8-6+