[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC3=C(C=C(C=C3S2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC3=C(C=C(C=C3S2)C)C

InChI

InChI=1S/C19H18N2O3S/c1-11-4-6-14(7-5-11)18(23)24-10-16(22)20-19-21-17-13(3)8-12(2)9-15(17)25-19/h4-9H,10H2,1-3H3,(H,20,21,22)