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

Systemtic Name: methyl (2S)-2-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methylamino]propanoate Openeye Name: methyl (2S)-2-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methylamino]propanoate CAS Name: (2S)-2-[[5-[anilino(oxo)methyl]-2,3-dihydro-1,4-oxathiin-6-yl]methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methylamino]propanoate Traditional Name: (2S)-2-[[5-(phenylcarbamoyl)-2,3-dihydro-1,4-oxathiin-6-yl]methylamino]propionic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-11(16(20)21-2)17-10-13-14(23-9-8-22-13)15(19)18-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,18,19)/t11-/m0/s1