1,3-benzothiazol-2-ylmethyl 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S2/c1-13-5-4-6-14(9-13)20-17(22)11-25-12-19(23)24-10-18-21-15-7-2-3-8-16(15)26-18/h2-9H,10-12H2,1H3,(H,20,22)