O1-ethyl O4-[2-[(4-methoxycarbonyl-5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylbutanedioate

Systemtic Name: O1-ethyl O4-[2-[(4-methoxycarbonyl-5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylbutanedioate Openeye Name: O1-ethyl O4-[2-[(4-methoxycarbonyl-5-methylsulfonyl-thiazol-2-yl)carbamoyl]phenyl] 2-methylbutanedioate CAS Name: 2-methylbutanedioic acid O1-ethyl ester O4-[2-[[(4-methoxycarbonyl-5-methylsulfonyl-2-thiazolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-[(4-methoxycarbonyl-5-methylsulfonyl-1,3-thiazol-2-yl)carbamoyl]phenyl] 2-methylbutanedioate Traditional Name: 2-methylsuccinic acid O4-[2-[(4-carbomethoxy-5-mesyl-thiazol-2-yl)carbamoyl]phenyl] ester O1-ethyl ester Formula: C20H22N2O9S2 MolecularWeight: 498.52668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CC(=O)OC1=CC=CC=C1C(=O)NC2=NC(=C(S2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C(C)CC(=O)OC1=CC=CC=C1C(=O)NC2=NC(=C(S2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C20H22N2O9S2/c1-5-30-17(25)11(2)10-14(23)31-13-9-7-6-8-12(13)16(24)22-20-21-15(18(26)29-3)19(32-20)33(4,27)28/h6-9,11H,5,10H2,1-4H3,(H,21,22,24)