[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-[methyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-[methyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-2-[methyl-[(3-methyl-2-thienyl)methyl]amino]ethyl] ester Formula: C17H18ClNO5S2 MolecularWeight: 415.91152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(SC=C1)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H18ClNO5S2/c1-11-6-7-25-15(11)9-19(2)16(20)10-24-17(21)13-8-12(26(3,22)23)4-5-14(13)18/h4-8H,9-10H2,1-3H3