methyl (2S)-2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2-oxazol-3-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2-oxazol-3-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)isoxazole-3-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[5-[(1,3-benzothiazol-2-ylthio)methyl]-3-isoxazolyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]isoxazole-3-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)C2=NOC(=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2=NOC(=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N3O4S2/c1-27-20(26)18(13-7-3-2-4-8-13)23-19(25)16-11-14(28-24-16)12-29-21-22-15-9-5-6-10-17(15)30-21/h2-11,18H,12H2,1H3,(H,23,25)/t18-/m0/s1