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

Systemtic Name: propan-2-yl 3-(2-ethylphenyl)carbothioyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Openeye Name: isopropyl 3-(2-ethylbenzenecarbothioyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate CAS Name: 3-[(2-ethylphenyl)-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-(2-ethylbenzenecarbothioyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Traditional Name: 3-(2-ethylthiobenzoyl)-5,6,7,8-tetrahydro-3H-pyrrol[1,2-a]azepine-8-carboxylic acid isopropyl ester Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=S)C2C=CC3=CC(CCCN23)C(=O)OC(C)C

Isomeric SMILES

CCC1=CC=CC=C1C(=S)C2C=CC3=CC(CCCN23)C(=O)OC(C)C

InChI

InChI=1S/C22H27NO2S/c1-4-16-8-5-6-10-19(16)21(26)20-12-11-18-14-17(9-7-13-23(18)20)22(24)25-15(2)3/h5-6,8,10-12,14-15,17,20H,4,7,9,13H2,1-3H3