4-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[2-(4-methoxyphenyl)pyrrolidino]butan-1-one Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCN2C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCN2C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O2S/c1-26-17-13-11-16(12-14-17)19-7-5-15-24(19)22(25)10-4-9-21-23-18-6-2-3-8-20(18)27-21/h2-3,6,8,11-14,19H,4-5,7,9-10,15H2,1H3