ethyl 2-[[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-oxoprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-isoamoxy-3-methoxy-phenyl)acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C=CC3=CC(=C(C=C3)OCCC(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO5S/c1-5-33-28(31)22-18-25(21-9-7-6-8-10-21)35-27(22)29-26(30)14-12-20-11-13-23(24(17-20)32-4)34-16-15-19(2)3/h6-14,17-19H,5,15-16H2,1-4H3,(H,29,30)/b14-12+