ethyl 3-(4-methylphenyl)-3-[(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)sulfonylamino]propanoate hydrochloride

Systemtic Name: ethyl 3-(4-methylphenyl)-3-[(2-oxidanylidene-3H-1,3-benzothiazol-6-yl)sulfonylamino]propanoate hydrochloride Openeye Name: ethyl 3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-3-(p-tolyl)propanoate hydrochloride CAS Name: 3-(4-methylphenyl)-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-(4-methylphenyl)-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]propanoate hydrochloride Traditional Name: 3-[(2-keto-3H-1,3-benzothiazol-6-yl)sulfonylamino]-3-(p-tolyl)propionic acid ethyl ester hydrochloride Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3.Cl

Isomeric SMILES

CCOC(=O)CC(C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3.Cl

InChI

InChI=1S/C19H20N2O5S2.ClH/c1-3-26-18(22)11-16(13-6-4-12(2)5-7-13)21-28(24,25)14-8-9-15-17(10-14)27-19(23)20-15;/h4-10,16,21H,3,11H2,1-2H3,(H,20,23);1H