O4-ethyl O2-propan-2-yl 5-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-propan-2-yl ester IUPAC Name: 4-O-ethyl 2-O-propan-2-yl 5-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C28H37NO7S MolecularWeight: 531.66088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OCC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OCC)OC

InChI

InChI=1S/C28H37NO7S/c1-7-9-10-11-16-35-21-14-12-20(17-22(21)33-6)13-15-23(30)29-26-24(27(31)34-8-2)19(5)25(37-26)28(32)36-18(3)4/h12-15,17-18H,7-11,16H2,1-6H3,(H,29,30)/b15-13+