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

Systemtic Name: [2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C17H13BrN2O3S/c1-10-3-2-4-11(7-10)16(22)23-9-15(21)20-17-19-13-6-5-12(18)8-14(13)24-17/h2-8H,9H2,1H3,(H,19,20,21)