methyl 3-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl]thio]propionic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSCCC(=O)OC

InChI

InChI=1S/C20H20N2O3S2/c1-13-3-8-16-17(11-13)27-20(22-16)14-4-6-15(7-5-14)21-18(23)12-26-10-9-19(24)25-2/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)