[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C17H19ClN2O4S2 MolecularWeight: 414.92676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCSCC2=CC=CS2)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCSCC2=CC=CS2)Cl)N

InChI

InChI=1S/C17H19ClN2O4S2/c1-23-15-8-14(19)13(18)7-12(15)17(22)24-9-16(21)20-4-6-25-10-11-3-2-5-26-11/h2-3,5,7-8H,4,6,9-10,19H2,1H3,(H,20,21)