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

Systemtic Name: methyl 6-tert-butyl-2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[(E)-3-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[(E)-3-o-phenetylacryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H31NO4S MolecularWeight: 441.58294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C25H31NO4S/c1-6-30-19-10-8-7-9-16(19)11-14-21(27)26-23-22(24(28)29-5)18-13-12-17(25(2,3)4)15-20(18)31-23/h7-11,14,17H,6,12-13,15H2,1-5H3,(H,26,27)/b14-11+