[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-3-methyl-phenyl] ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H16N2O3S2/c1-12-8-13(25-11-19)2-4-15(12)20-18(21)10-24-14-3-5-16-17(9-14)23-7-6-22-16/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)