1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(4-ethanoyl-5-methyl-furan-2-yl)propan-1-one

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-(4-ethanoyl-5-methyl-furan-2-yl)propan-1-one Openeye Name: 3-(4-acetyl-5-methyl-2-furyl)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-(4-acetyl-5-methyl-2-furanyl)-1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-(4-acetyl-5-methylfuran-2-yl)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]propan-1-one Traditional Name: 3-(4-acetyl-5-methyl-2-furyl)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]propan-1-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3)C(=O)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3)C(=O)C

InChI

InChI=1S/C21H22N2O3S/c1-13(24)16-12-15(26-14(16)2)9-10-20(25)23-11-5-7-18(23)21-22-17-6-3-4-8-19(17)27-21/h3-4,6,8,12,18H,5,7,9-11H2,1-2H3