(4-pyrrolidin-1-ylcarbonylphenyl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4)C=C1

InChI

InChI=1S/C22H23NO3S/c1-15-4-7-18-13-20(27-19(18)12-15)22(25)26-14-16-5-8-17(9-6-16)21(24)23-10-2-3-11-23/h4-9,12,20H,2-3,10-11,13-14H2,1H3