methyl (2S)-2-[[(2S)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-cyano-2-(4-methylthiazol-2-yl)ethylidene]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-cyano-2-(4-methyl-2-thiazolyl)ethylidene]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-cyano-2-(4-methylthiazol-2-yl)ethylidene]amino]-3-phenyl-propionic acid methyl ester Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C=NC(CC2=CC=CC=C2)C(=O)OC)C#N

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C=N[C@@H](CC2=CC=CC=C2)C(=O)OC)C#N

InChI

InChI=1S/C17H17N3O2S/c1-12-11-23-16(20-12)14(9-18)10-19-15(17(21)22-2)8-13-6-4-3-5-7-13/h3-7,10-11,14-15H,8H2,1-2H3/t14-,15+/m1/s1