[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)C

Isomeric SMILES

CCCCC(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)C

InChI

InChI=1S/C15H18N2O3S/c1-3-4-5-15(19)20-9-14(18)17-13-7-6-12(21-10-16)8-11(13)2/h6-8H,3-5,9H2,1-2H3,(H,17,18)