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

Systemtic Name: ethyl 3-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-methyl-3-oxidanyl-propanoate Openeye Name: ethyl 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-methylpropanoic acid ethyl ester IUPAC Name: ethyl 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-propionic acid ethyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CCOC(=O)C(C)C(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C19H20N2O3S/c1-3-24-18(23)12(2)17(22)13-8-10-14(11-9-13)20-19-21-15-6-4-5-7-16(15)25-19/h4-12,17,22H,3H2,1-2H3,(H,20,21)