ethyl 3-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[(5-chloro-2-methoxy-phenyl)carbamothioyl-(2-furylmethyl)amino]propanoate CAS Name: 3-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(5-chloro-2-methoxyphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[(5-chloro-2-methoxy-phenyl)thiocarbamoyl-(2-furfuryl)amino]propionic acid ethyl ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C18H21ClN2O4S/c1-3-24-17(22)8-9-21(12-14-5-4-10-25-14)18(26)20-15-11-13(19)6-7-16(15)23-2/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,26)