2-methoxyethyl 2-[(2-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-methoxyethyl 2-[(2-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-methoxyethyl 2-[(2-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(2-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(o-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCCOC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCCOC

InChI

InChI=1S/C20H23NO4S/c1-13-7-3-4-8-14(13)18(22)21-19-17(20(23)25-12-11-24-2)15-9-5-6-10-16(15)26-19/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,21,22)