3-(2-ethylphenyl)carbothioyl-2-methyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-9-carboxylic acid

Systemtic Name: 3-(2-ethylphenyl)carbothioyl-2-methyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(2-ethylbenzenecarbothioyl)-2-methyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[(2-ethylphenyl)-sulfanylidenemethyl]-2-methyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(2-ethylbenzenecarbothioyl)-2-methyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(2-ethylthiobenzoyl)-2-methyl-5,6,7,8-tetrahydro-3H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=S)C2C(=CC3=C(CCCCN23)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC=C1C(=S)C2C(=CC3=C(CCCCN23)C(=O)O)C

InChI

InChI=1S/C20H23NO2S/c1-3-14-8-4-5-9-15(14)19(24)18-13(2)12-17-16(20(22)23)10-6-7-11-21(17)18/h4-5,8-9,12,18H,3,6-7,10-11H2,1-2H3,(H,22,23)