propan-2-yl 2-butyl-3-(3-methylthiophen-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: propan-2-yl 2-butyl-3-(3-methylthiophen-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 2-butyl-3-(3-methylthiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 2-butyl-3-[(3-methyl-2-thiophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-butyl-3-(3-methylthiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 2-butyl-3-(3-methylthiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2CCCCC(C2=C1)C(=O)OC(C)C)C(=O)C3=C(C=CS3)C

Isomeric SMILES

CCCCC1=C(N2CCCCC(C2=C1)C(=O)OC(C)C)C(=O)C3=C(C=CS3)C

InChI

InChI=1S/C23H31NO3S/c1-5-6-9-17-14-19-18(23(26)27-15(2)3)10-7-8-12-24(19)20(17)21(25)22-16(4)11-13-28-22/h11,13-15,18H,5-10,12H2,1-4H3