methyl 2-[2-[2-(4-ethylsulfanylphenyl)ethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(4-ethylsulfanylphenyl)ethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-ethylsulfanylphenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[4-(ethylthio)phenyl]-1-oxoethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-ethylsulfanylphenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-[4-(ethylthio)phenyl]acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CCSC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C20H19N3O5S2/c1-3-29-15-7-4-13(5-8-15)10-18(24)21-20-22(12-19(25)28-2)16-11-14(23(26)27)6-9-17(16)30-20/h4-9,11H,3,10,12H2,1-2H3