methyl (4S)-6-azanyl-4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate

Systemtic Name: methyl (4S)-6-azanyl-4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-4-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-2-(chloromethyl)-5-cyano-4H-pyran-3-carboxylic acid methyl ester Formula: C18H18ClN3O6 MolecularWeight: 407.80502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(OC(=C2C(=O)OC)CCl)N)C#N)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H]2C(=C(OC(=C2C(=O)OC)CCl)N)C#N)OCC(=O)N

InChI

InChI=1S/C18H18ClN3O6/c1-25-12-5-9(3-4-11(12)27-8-14(21)23)15-10(7-20)17(22)28-13(6-19)16(15)18(24)26-2/h3-5,15H,6,8,22H2,1-2H3,(H2,21,23)/t15-/m0/s1