phenyl 3-[(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)carbamoyl]thiomorpholine-4-carboxylate

Systemtic Name: phenyl 3-[(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)carbamoyl]thiomorpholine-4-carboxylate Openeye Name: phenyl 3-[(4-chloro-2-fluoro-5-isopropoxy-phenyl)carbamoyl]thiomorpholine-4-carboxylate CAS Name: 3-[(4-chloro-2-fluoro-5-propan-2-yloxyanilino)-oxomethyl]-4-thiomorpholinecarboxylic acid phenyl ester IUPAC Name: phenyl 3-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]thiomorpholine-4-carboxylate Traditional Name: 3-[(4-chloro-2-fluoro-5-isopropoxy-phenyl)carbamoyl]thiomorpholine-4-carboxylic acid phenyl ester Formula: C21H22ClFN2O4S MolecularWeight: 452.926783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C(=C1)NC(=O)C2CSCCN2C(=O)OC3=CC=CC=C3)F)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C(=C1)NC(=O)C2CSCCN2C(=O)OC3=CC=CC=C3)F)Cl

InChI

InChI=1S/C21H22ClFN2O4S/c1-13(2)28-19-11-17(16(23)10-15(19)22)24-20(26)18-12-30-9-8-25(18)21(27)29-14-6-4-3-5-7-14/h3-7,10-11,13,18H,8-9,12H2,1-2H3,(H,24,26)