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

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[[(E)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[[(E)-3-(4-benzyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-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-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-3-(4-benzoxy-3-methoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C29H31NO7S MolecularWeight: 537.62394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)C=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)C)NC(=O)/C=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C29H31NO7S/c1-6-35-28(32)25-19(4)26(29(33)37-18(2)3)38-27(25)30-24(31)15-13-20-12-14-22(23(16-20)34-5)36-17-21-10-8-7-9-11-21/h7-16,18H,6,17H2,1-5H3,(H,30,31)/b15-13+