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

Systemtic Name: propan-2-yl 3-(3-ethylsulfinylphenyl)carbonyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Openeye Name: isopropyl 3-(3-ethylsulfinylbenzoyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate CAS Name: 3-[(3-ethylsulfinylphenyl)-oxomethyl]-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3-ethylsulfinylbenzoyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Traditional Name: 3-(3-ethylsulfinylbenzoyl)-5,6,7,8-tetrahydro-3H-pyrrol[1,2-a]azepine-8-carboxylic acid isopropyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC(=C1)C(=O)C2C=CC3=CC(CCCN23)C(=O)OC(C)C

Isomeric SMILES

CCS(=O)C1=CC=CC(=C1)C(=O)C2C=CC3=CC(CCCN23)C(=O)OC(C)C

InChI

InChI=1S/C22H27NO4S/c1-4-28(26)19-9-5-7-16(14-19)21(24)20-11-10-18-13-17(8-6-12-23(18)20)22(25)27-15(2)3/h5,7,9-11,13-15,17,20H,4,6,8,12H2,1-3H3