[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpropanoate

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpropanoate Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-phenylsulfanylpropanoate CAS Name: 2-(phenylthio)propanoic acid [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-phenylsulfanylpropanoate Traditional Name: 2-(phenylthio)propionic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C(C)SC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S2/c1-12-8-9-15-16(10-12)26-19(20-15)21-17(22)11-24-18(23)13(2)25-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,20,21,22)