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

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(6-methylbenzofuran-3-yl)acetate CAS Name: 2-(6-methyl-3-benzofuranyl)acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methylbenzofuran-3-yl)acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)SC#N)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)SC#N)C

InChI

InChI=1S/C21H18N2O4S/c1-13-3-5-17-15(10-26-19(17)7-13)9-21(25)27-11-20(24)23-18-6-4-16(28-12-22)8-14(18)2/h3-8,10H,9,11H2,1-2H3,(H,23,24)