2-azanyl-3-oxidanyl-propanoic acid; 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline; hydrochloride

Systemtic Name: 2-azanyl-3-oxidanyl-propanoic acid; 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline; hydrochloride Openeye Name: 2-amino-3-hydroxy-propanoic acid; 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline; hydrochloride CAS Name: 2-amino-3-hydroxypropanoic acid; 4-(1,3-benzothiazol-2-yl)-2-methylaniline; hydrochloride IUPAC Name: 2-amino-3-hydroxypropanoic acid; 4-(1,3-benzothiazol-2-yl)-2-methylaniline; hydrochloride Traditional Name: 2-amino-3-hydroxy-propionic acid; [4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]amine; hydrochloride Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N.C(C(C(=O)O)N)O.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N.C(C(C(=O)O)N)O.Cl

InChI

InChI=1S/C14H12N2S.C3H7NO3.ClH/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14;4-2(1-5)3(6)7;/h2-8H,15H2,1H3;2,5H,1,4H2,(H,6,7);1H