[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)pyrrolidino]-(3,4,5-triethoxyphenyl)methanone Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H28N2O4S/c1-4-28-19-14-16(15-20(29-5-2)22(19)30-6-3)24(27)26-13-9-11-18(26)23-25-17-10-7-8-12-21(17)31-23/h7-8,10,12,14-15,18H,4-6,9,11,13H2,1-3H3