4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C18H16N4O5S2 MolecularWeight: 432.47344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S2/c1-2-27-11-4-5-12-15(8-11)29-18(20-12)21-16(23)9-28-14-6-3-10(17(19)24)7-13(14)22(25)26/h3-8H,2,9H2,1H3,(H2,19,24)(H,20,21,23)