1,3-benzothiazol-2-ylmethyl 2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H19BrN2O3S/c1-12(2)18(23-19(24)13-7-3-4-8-14(13)21)20(25)26-11-17-22-15-9-5-6-10-16(15)27-17/h3-10,12,18H,11H2,1-2H3,(H,23,24)