(E)-1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(p-tolyl)prop-2-en-1-one CAS Name: (E)-1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-(4-methylphenyl)-2-propen-1-one IUPAC Name: (E)-1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-(p-tolyl)prop-2-en-1-one Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2OS/c1-15-8-10-16(11-9-15)12-13-20(24)23-14-4-6-18(23)21-22-17-5-2-3-7-19(17)25-21/h2-3,5,7-13,18H,4,6,14H2,1H3/b13-12+/t18-/m0/s1