ethyl 3-methyl-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-methyl-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3-benzylsulfonylpropanoylimino)-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[1-oxo-3-(phenylmethyl)sulfonylpropyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-benzylsulfonylpropanoylimino)-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-benzylsulfonylpropanoylimino)-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)C

InChI

InChI=1S/C21H22N2O5S2/c1-3-28-20(25)16-9-10-17-18(13-16)29-21(23(17)2)22-19(24)11-12-30(26,27)14-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3