propan-2-yl 2-methyl-3-(4-methylthiophen-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: propan-2-yl 2-methyl-3-(4-methylthiophen-2-yl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 2-methyl-3-(4-methylthiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 2-methyl-3-[(4-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-methyl-3-(4-methylthiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 2-methyl-3-(4-methylthiophene-2-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)OC(C)C)C

Isomeric SMILES

CC1=CSC(=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)OC(C)C)C

InChI

InChI=1S/C20H25NO3S/c1-12(2)24-20(23)15-7-5-6-8-21-16(15)10-14(4)18(21)19(22)17-9-13(3)11-25-17/h9-12,15H,5-8H2,1-4H3