sodium (diphenylmethyl) 3-methyl-2-[3-[(4-methylphenyl)carbonylamino]-2-oxidanylidene-4-sulfinato-azetidin-1-yl]but-2-enoate

Systemtic Name: sodium (diphenylmethyl) 3-methyl-2-[3-[(4-methylphenyl)carbonylamino]-2-oxidanylidene-4-sulfinato-azetidin-1-yl]but-2-enoate Openeye Name: sodium benzhydryl 3-methyl-2-[3-[(4-methylbenzoyl)amino]-2-oxo-4-sulfinato-azetidin-1-yl]but-2-enoate CAS Name: sodium 3-methyl-2-[3-[[(4-methylphenyl)-oxomethyl]amino]-2-oxo-4-sulfinato-1-azetidinyl]-2-butenoic acid (diphenylmethyl) ester IUPAC Name: sodium benzhydryl 3-methyl-2-[3-[(4-methylbenzoyl)amino]-2-oxo-4-sulfinatoazetidin-1-yl]but-2-enoate Traditional Name: sodium 2-[2-keto-3-(p-toluoylamino)-4-sulfinato-azetidin-1-yl]-3-methyl-but-2-enoic acid benzhydryl ester Formula: C29H27N2NaO6S MolecularWeight: 554.58925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2C(N(C2=O)C(=C(C)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)[S-](=O)=O.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2C(N(C2=O)C(=C(C)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)[S-](=O)=O.[Na+]

InChI

InChI=1S/C29H27N2O6S.Na/c1-18(2)24(29(34)37-25(20-10-6-4-7-11-20)21-12-8-5-9-13-21)31-27(33)23(28(31)38(35)36)30-26(32)22-16-14-19(3)15-17-22;/h4-17,23,25,28H,1-3H3,(H,30,32);/q-1;+1