ethyl 4-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate Openeye Name: ethyl 4-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]thiomorpholine-3-carboxylate CAS Name: 4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]thiomorpholine-3-carboxylate Traditional Name: 4-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C16H21BrN2O3S MolecularWeight: 401.31854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1CC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1CSCCN1CC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C16H21BrN2O3S/c1-3-22-16(21)14-10-23-7-6-19(14)9-15(20)18-13-5-4-12(17)8-11(13)2/h4-5,8,14H,3,6-7,9-10H2,1-2H3,(H,18,20)