ethyl 3-[(4-chlorophenyl)sulfonyl-[(3-methylthiophen-2-yl)methyl]amino]propanoate

Systemtic Name: ethyl 3-[(4-chlorophenyl)sulfonyl-[(3-methylthiophen-2-yl)methyl]amino]propanoate Openeye Name: ethyl 3-[(4-chlorophenyl)sulfonyl-[(3-methyl-2-thienyl)methyl]amino]propanoate CAS Name: 3-[(4-chlorophenyl)sulfonyl-[(3-methyl-2-thiophenyl)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chlorophenyl)sulfonyl-[(3-methylthiophen-2-yl)methyl]amino]propanoate Traditional Name: 3-[(4-chlorophenyl)sulfonyl-[(3-methyl-2-thienyl)methyl]amino]propionic acid ethyl ester Formula: C17H20ClNO4S2 MolecularWeight: 401.928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=C(C=CS1)C)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CCN(CC1=C(C=CS1)C)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H20ClNO4S2/c1-3-23-17(20)8-10-19(12-16-13(2)9-11-24-16)25(21,22)15-6-4-14(18)5-7-15/h4-7,9,11H,3,8,10,12H2,1-2H3