N-[2-methyl-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[2-methyl-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[2-methyl-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[2-methyl-5-[oxo-[3-(1-pyrrolidinyl)propylamino]methyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[2-methyl-5-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[2-methyl-5-(3-pyrrolidinopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCN2CCCC2)NC(=O)C3=CSCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCN2CCCC2)NC(=O)C3=CSCCO3

InChI

InChI=1S/C20H27N3O3S/c1-15-5-6-16(19(24)21-7-4-10-23-8-2-3-9-23)13-17(15)22-20(25)18-14-27-12-11-26-18/h5-6,13-14H,2-4,7-12H2,1H3,(H,21,24)(H,22,25)