3-methyl-2-[(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]butanoic acid Openeye Name: 2-[benzyl-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]butanoic acid IUPAC Name: 2-[benzyl-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[benzyl-[(2-keto-3H-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-methyl-butyric acid Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3

Isomeric SMILES

CC(C)C(C(=O)O)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3

InChI

InChI=1S/C19H20N2O5S2/c1-12(2)17(18(22)23)21(11-13-6-4-3-5-7-13)28(25,26)14-8-9-15-16(10-14)27-19(24)20-15/h3-10,12,17H,11H2,1-2H3,(H,20,24)(H,22,23)