[4-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoylamino]phenyl] thiocyanate Openeye Name: [4-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[3-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxopropyl]amino]phenyl] ester IUPAC Name: [4-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]propanoylamino]phenyl] ester Formula: C19H17N3O2S3 MolecularWeight: 415.55218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCCC(=O)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCCC(=O)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C19H17N3O2S3/c1-2-24-14-5-8-16-17(11-14)27-19(22-16)25-10-9-18(23)21-13-3-6-15(7-4-13)26-12-20/h3-8,11H,2,9-10H2,1H3,(H,21,23)