(E)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(5-bromanyl-2-methoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(5-bromanyl-2-methoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(5-bromo-2-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-(5-bromo-2-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(5-bromo-2-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-(5-bromo-2-methoxy-phenyl)prop-2-en-1-one Formula: C21H19BrN2O2S MolecularWeight: 443.35676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19BrN2O2S/c1-26-18-10-9-15(22)13-14(18)8-11-20(25)24-12-4-6-17(24)21-23-16-5-2-3-7-19(16)27-21/h2-3,5,7-11,13,17H,4,6,12H2,1H3/b11-8+