1,3-benzothiazol-2-ylmethyl 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S2/c1-28-12-11-17(22-19(24)13-26-15-7-3-2-4-8-15)21(25)27-14-20-23-16-9-5-6-10-18(16)29-20/h2-10,17H,11-14H2,1H3,(H,22,24)