N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H22N2O4S/c27-23(22-7-3-13-31-22)25-18-5-1-4-17(14-18)24(28)26-10-2-6-19(26)16-8-9-20-21(15-16)30-12-11-29-20/h1,3-5,7-9,13-15,19H,2,6,10-12H2,(H,25,27)/t19-/m0/s1