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

Systemtic Name: 3-(3-ethylsulfinylphenyl)carbonyl-2-methyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(3-ethylsulfinylbenzoyl)-2-methyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[(3-ethylsulfinylphenyl)-oxomethyl]-2-methyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(3-ethylsulfinylbenzoyl)-2-methyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(3-ethylsulfinylbenzoyl)-2-methyl-5,6,7,8-tetrahydro-3H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC(=C1)C(=O)C2C(=CC3=C(CCCCN23)C(=O)O)C

Isomeric SMILES

CCS(=O)C1=CC=CC(=C1)C(=O)C2C(=CC3=C(CCCCN23)C(=O)O)C

InChI

InChI=1S/C20H23NO4S/c1-3-26(25)15-8-6-7-14(12-15)19(22)18-13(2)11-17-16(20(23)24)9-4-5-10-21(17)18/h6-8,11-12,18H,3-5,9-10H2,1-2H3,(H,23,24)