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

Systemtic Name: methyl 2-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl]thio]acetic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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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)CSCC(=O)OC

Isomeric SMILES

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

InChI

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