propan-2-yl 3-(4-methylphenyl)carbothioyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate

Systemtic Name: propan-2-yl 3-(4-methylphenyl)carbothioyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Openeye Name: isopropyl 3-(4-methylbenzenecarbothioyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate CAS Name: 3-[(4-methylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-methylbenzenecarbothioyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Traditional Name: 3-(4-methylthiobenzoyl)-5,6,7,8-tetrahydro-3H-pyrrol[1,2-a]azepine-8-carboxylic acid isopropyl ester Formula: C21H25NO2S MolecularWeight: 355.4937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2C=CC3=CC(CCCN23)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2C=CC3=CC(CCCN23)C(=O)OC(C)C

InChI

InChI=1S/C21H25NO2S/c1-14(2)24-21(23)17-5-4-12-22-18(13-17)10-11-19(22)20(25)16-8-6-15(3)7-9-16/h6-11,13-14,17,19H,4-5,12H2,1-3H3