methyl 1-[4-[(4-chloranyl-3-methyl-phenoxy)methyl]thiophen-2-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[4-[(4-chloranyl-3-methyl-phenoxy)methyl]thiophen-2-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[4-[(4-chloro-3-methyl-phenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[4-[(4-chloro-3-methylphenoxy)methyl]-2-thiophenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: 1-[4-[(4-chloro-3-methyl-phenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CSC(=C2)C(=O)N3CCCC3C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CSC(=C2)C(=O)N3CCCC3C(=O)OC)Cl

InChI

InChI=1S/C19H20ClNO4S/c1-12-8-14(5-6-15(12)20)25-10-13-9-17(26-11-13)18(22)21-7-3-4-16(21)19(23)24-2/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3