methyl 3-[[2-[(5-chloranylpyridin-3-yl)oxymethyl]morpholin-4-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[(5-chloranylpyridin-3-yl)oxymethyl]morpholin-4-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(5-chloro-3-pyridyl)oxymethyl]morpholine-4-carbothioyl]amino]-4-methyl-thiophene-2-carboxylate CAS Name: 3-[[[2-[(5-chloro-3-pyridinyl)oxymethyl]-4-morpholinyl]-sulfanylidenemethyl]amino]-4-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-chloropyridin-3-yl)oxymethyl]morpholine-4-carbothioyl]amino]-4-methylthiophene-2-carboxylate Traditional Name: 3-[[2-[(5-chloro-3-pyridyl)oxymethyl]morpholine-4-carbothioyl]amino]-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C18H20ClN3O4S2 MolecularWeight: 441.9521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=S)N2CCOC(C2)COC3=CC(=CN=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1NC(=S)N2CCOC(C2)COC3=CC(=CN=C3)Cl)C(=O)OC

InChI

InChI=1S/C18H20ClN3O4S2/c1-11-10-28-16(17(23)24-2)15(11)21-18(27)22-3-4-25-14(8-22)9-26-13-5-12(19)6-20-7-13/h5-7,10,14H,3-4,8-9H2,1-2H3,(H,21,27)