(2-benzamido-2-oxidanylidene-ethyl) (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C19H19NO4S MolecularWeight: 357.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO4S/c1-12-7-8-15-14(9-12)10-16(25-15)19(23)24-11-17(21)20-18(22)13-5-3-2-4-6-13/h2-6,10,12H,7-9,11H2,1H3,(H,20,21,22)/t12-/m0/s1