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

Systemtic Name: propan-2-yl 3-(4-butylsulfinylphenyl)carbonyl-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Openeye Name: isopropyl 3-(4-butylsulfinylbenzoyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate CAS Name: 3-[(4-butylsulfinylphenyl)-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-(4-butylsulfinylbenzoyl)-5,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]azepine-8-carboxylate Traditional Name: 3-(4-butylsulfinylbenzoyl)-5,6,7,8-tetrahydro-3H-pyrrol[1,2-a]azepine-8-carboxylic acid isopropyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4S/c1-4-5-15-30(28)21-11-8-18(9-12-21)23(26)22-13-10-20-16-19(7-6-14-25(20)22)24(27)29-17(2)3/h8-13,16-17,19,22H,4-7,14-15H2,1-3H3