N-(2-sulfanylphenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanimidate

Systemtic Name: N-(2-sulfanylphenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanimidate Openeye Name: N-(2-sulfanylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanimidate CAS Name: N-(2-mercaptophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanimidate IUPAC Name: N-(2-sulfanylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanimidate Traditional Name: N-(2-mercaptophenyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionimidate Formula: C16H13N2O4S2- MolecularWeight: 361.41542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=NC3=CC=CC=C3S)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=NC3=CC=CC=C3S)[O-]

InChI

InChI=1S/C16H14N2O4S2/c19-15(17-12-6-2-3-7-13(12)23)9-10-18-16(20)11-5-1-4-8-14(11)24(18,21)22/h1-8,23H,9-10H2,(H,17,19)/p-1