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

Systemtic Name: ethyl 3-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[(3-chloro-2-methyl-phenyl)carbamothioyl-(2-furylmethyl)amino]propanoate CAS Name: 3-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloro-2-methylphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[(3-chloro-2-methyl-phenyl)thiocarbamoyl-(2-furfuryl)amino]propionic acid ethyl ester Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O3S/c1-3-23-17(22)9-10-21(12-14-6-5-11-24-14)18(25)20-16-8-4-7-15(19)13(16)2/h4-8,11H,3,9-10,12H2,1-2H3,(H,20,25)