prop-2-enyl (2S)-3-methyl-2-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methylamino]butanoate

Systemtic Name: prop-2-enyl (2S)-3-methyl-2-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methylamino]butanoate Openeye Name: allyl (2S)-3-methyl-2-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methylamino]butanoate CAS Name: (2S)-2-[[5-[anilino(oxo)methyl]-2,3-dihydro-1,4-oxathiin-6-yl]methylamino]-3-methylbutanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S)-3-methyl-2-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methylamino]butyric acid allyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC=C)NCC1=C(SCCO1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC=C)NCC1=C(SCCO1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O4S/c1-4-10-26-20(24)17(14(2)3)21-13-16-18(27-12-11-25-16)19(23)22-15-8-6-5-7-9-15/h4-9,14,17,21H,1,10-13H2,2-3H3,(H,22,23)/t17-/m0/s1