methyl 6-tert-butyl-2-[[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)OC

InChI

InChI=1S/C27H35NO5S/c1-7-14-33-20-12-8-17(15-21(20)31-5)9-13-23(29)28-25-24(26(30)32-6)19-11-10-18(27(2,3)4)16-22(19)34-25/h8-9,12-13,15,18H,7,10-11,14,16H2,1-6H3,(H,28,29)/b13-9+