propan-2-yl 3-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[2-(m-tolylmethylsulfanyl)acetyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-[(3-methylbenzyl)thio]acetyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O5S/c1-15(2)29-22(26)12-19(18-9-4-5-10-20(18)24(27)28)23-21(25)14-30-13-17-8-6-7-16(3)11-17/h4-11,15,19H,12-14H2,1-3H3,(H,23,25)