methyl 4-[[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[1-[1-[2-(2-furylmethylsulfanyl)acetyl]pentylcarbamoyl]-3-methyl-butyl]carbamoyl]benzoate CAS Name: 4-[[[1-[[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]benzoate Traditional Name: 4-[[1-[1-[2-(2-furfurylthio)acetyl]pentylcarbamoyl]-3-methyl-butyl]carbamoyl]benzoic acid methyl ester Formula: C27H36N2O6S MolecularWeight: 516.64954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C27H36N2O6S/c1-5-6-9-22(24(30)17-36-16-21-8-7-14-35-21)28-26(32)23(15-18(2)3)29-25(31)19-10-12-20(13-11-19)27(33)34-4/h7-8,10-14,18,22-23H,5-6,9,15-17H2,1-4H3,(H,28,32)(H,29,31)