S-[1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] ethanethioate

Systemtic Name: S-[1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] ethanethioate Openeye Name: S-[1-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]propyl] ethanethioate CAS Name: ethanethioic acid S-[1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: S-[1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]propyl] ester Formula: C13H13N3O4S2 MolecularWeight: 339.39002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC(=O)C

InChI

InChI=1S/C13H13N3O4S2/c1-3-10(21-7(2)17)12(18)15-13-14-9-5-4-8(16(19)20)6-11(9)22-13/h4-6,10H,3H2,1-2H3,(H,14,15,18)