ethyl 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H35NO5S MolecularWeight: 485.6355

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)OC

InChI

InChI=1S/C27H35NO5S/c1-4-6-7-10-17-33-21-15-13-19(18-22(21)31-3)14-16-24(29)28-26-25(27(30)32-5-2)20-11-8-9-12-23(20)34-26/h13-16,18H,4-12,17H2,1-3H3,(H,28,29)/b16-14+