1-[5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S/c1-12-18(14(3)25)13(2)22-19(12)21(26)24-10-6-7-15(11-24)20-23-16-8-4-5-9-17(16)27-20/h4-5,8-9,15,22H,6-7,10-11H2,1-3H3/t15-/m1/s1