[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-[(2-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-[(2-methoxyphenyl)carbonylamino]ethanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-[(2-methoxybenzoyl)amino]acetate CAS Name: 2-[[(2-methoxyphenyl)-oxomethyl]amino]acetic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-[(2-methoxybenzoyl)amino]acetate Traditional Name: 2-(o-anisoylamino)acetic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C18H17N3O5S/c1-11-10-27-18(21-11)13(7-19)14(22)9-26-16(23)8-20-17(24)12-5-3-4-6-15(12)25-2/h3-6,10,13H,8-9H2,1-2H3,(H,20,24)/t13-/m0/s1