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

Systemtic Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one Openeye Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one CAS Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-(4-methoxyphenyl)-1-propanone IUPAC Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one Traditional Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-(4-methoxyphenyl)propan-1-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O2S/c1-25-16-11-8-15(9-12-16)10-13-20(24)23-14-4-6-18(23)21-22-17-5-2-3-7-19(17)26-21/h2-3,5,7-9,11-12,18H,4,6,10,13-14H2,1H3/t18-/m0/s1