ethyl 4-[2-[3-[(3-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(3-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(3-cyanoanilino)-3-oxo-propyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(3-cyanoanilino)-3-oxopropyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(3-cyanoanilino)-3-oxopropyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(3-cyanoanilino)-3-keto-propyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H21N3O4S/c1-2-28-21(27)16-6-8-17(9-7-16)23-20(26)14-29-11-10-19(25)24-18-5-3-4-15(12-18)13-22/h3-9,12H,2,10-11,14H2,1H3,(H,23,26)(H,24,25)