1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-(4-methoxyphenoxy)-1-propanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-(4-methoxyphenoxy)propan-1-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)OCCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O3S/c1-25-15-8-10-16(11-9-15)26-14-12-20(24)23-13-4-6-18(23)21-22-17-5-2-3-7-19(17)27-21/h2-3,5,7-11,18H,4,6,12-14H2,1H3