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

Systemtic Name: [4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]amino]phenyl] ester Formula: C18H15N3O2S3 MolecularWeight: 401.5256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S3/c1-2-23-13-5-8-15-16(9-13)26-18(21-15)24-10-17(22)20-12-3-6-14(7-4-12)25-11-19/h3-9H,2,10H2,1H3,(H,20,22)