methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[2-(1-oxopropylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(2-propanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-propionylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C13H15N3O5S2 MolecularWeight: 357.4053

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)N)CC(=O)OC

Isomeric SMILES

CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)N)CC(=O)OC

InChI

InChI=1S/C13H15N3O5S2/c1-3-11(17)15-13-16(7-12(18)21-2)9-5-4-8(23(14,19)20)6-10(9)22-13/h4-6H,3,7H2,1-2H3,(H2,14,19,20)