[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-[(4-methoxybenzoyl)amino]acetate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate Traditional Name: 2-(p-anisoylamino)acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H19N3O5S/c1-13-9-16(29-12-21)7-8-17(13)23-18(24)11-28-19(25)10-22-20(26)14-3-5-15(27-2)6-4-14/h3-9H,10-11H2,1-2H3,(H,22,26)(H,23,24)