methyl 2-[(4-prop-2-enoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-prop-2-enoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-allyloxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(4-prop-2-enoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-prop-2-enoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-allyloxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OCC=C

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C20H21NO4S/c1-3-12-25-14-10-8-13(9-11-14)18(22)21-19-17(20(23)24-2)15-6-4-5-7-16(15)26-19/h3,8-11H,1,4-7,12H2,2H3,(H,21,22)