[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H18N2O5S/c1-13-8-15(28-12-21)3-4-16(13)22-19(23)11-27-20(24)10-14-2-5-17-18(9-14)26-7-6-25-17/h2-5,8-9H,6-7,10-11H2,1H3,(H,22,23)