[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-[methyl(2-thenyl)amino]ethyl] ester Formula: C17H19NO5S2 MolecularWeight: 381.46646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N(C)CC2=CC=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N(C)CC2=CC=CS2

InChI

InChI=1S/C17H19NO5S2/c1-12-6-7-14(25(3,21)22)9-15(12)17(20)23-11-16(19)18(2)10-13-5-4-8-24-13/h4-9H,10-11H2,1-3H3