3-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-methyl-3-oxidanyl-propanoate

Systemtic Name: 3-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-methyl-3-oxidanyl-propanoate Openeye Name: 3-[4-(1,3-benzothiazol-2-ylamino)phenyl]-3-hydroxy-2-methyl-propanoate CAS Name: 3-[4-(1,3-benzothiazol-2-ylamino)phenyl]-3-hydroxy-2-methylpropanoate IUPAC Name: 3-[4-(1,3-benzothiazol-2-ylamino)phenyl]-3-hydroxy-2-methylpropanoate Traditional Name: 3-[4-(1,3-benzothiazol-2-ylamino)phenyl]-3-hydroxy-2-methyl-propionate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)O)C(=O)[O-]

Isomeric SMILES

CC(C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)O)C(=O)[O-]

InChI

InChI=1S/C17H16N2O3S/c1-10(16(21)22)15(20)11-6-8-12(9-7-11)18-17-19-13-4-2-3-5-14(13)23-17/h2-10,15,20H,1H3,(H,18,19)(H,21,22)/p-1