3-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-2-(1,2,4-oxathiazinan-4-yl)propanoic acid

Systemtic Name: 3-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-2-(1,2,4-oxathiazinan-4-yl)propanoic acid Openeye Name: 3-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-2-(1,2,4-oxathiazinan-4-yl)propanoic acid CAS Name: 3-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-2-(1,2,4-oxathiazinan-4-yl)propanoic acid IUPAC Name: 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-(1,2,4-oxathiazinan-4-yl)propanoic acid Traditional Name: 3-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-2-(1,2,4-oxathiazinan-4-yl)propionic acid Formula: C14H18ClN3O5S MolecularWeight: 375.82782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCC(C(=O)O)N2CCOSC2)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCC(C(=O)O)N2CCOSC2)Cl)N

InChI

InChI=1S/C14H18ClN3O5S/c1-22-12-5-10(16)9(15)4-8(12)13(19)17-6-11(14(20)21)18-2-3-23-24-7-18/h4-5,11H,2-3,6-7,16H2,1H3,(H,17,19)(H,20,21)