1-[1-(diphenylmethyl)oxy-3-methyl-1-oxidanylidene-but-3-en-2-yl]-3-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-azetidine-2-sulfinic acid

Systemtic Name: 1-[1-(diphenylmethyl)oxy-3-methyl-1-oxidanylidene-but-3-en-2-yl]-3-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-azetidine-2-sulfinic acid Openeye Name: 1-(1-benzhydryloxycarbonyl-2-methyl-allyl)-3-[(4-methylbenzoyl)amino]-4-oxo-azetidine-2-sulfinic acid CAS Name: 1-[1-(diphenylmethyl)oxy-3-methyl-1-oxobut-3-en-2-yl]-3-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-2-azetidinesulfinic acid IUPAC Name: 1-(1-benzhydryloxy-3-methyl-1-oxobut-3-en-2-yl)-3-[(4-methylbenzoyl)amino]-4-oxoazetidine-2-sulfinic acid Traditional Name: 1-(1-benzhydryloxycarbonyl-2-methyl-allyl)-4-keto-3-(p-toluoylamino)azetidine-2-sulfinic acid Formula: C29H28N2O6S MolecularWeight: 532.60742

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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

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

InChI

InChI=1S/C29H28N2O6S/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,1H2,2-3H3,(H,30,32)(H,35,36)