propan-2-yl 4-chloranyl-3-[2-[[5-[(1-methylnaphthalen-2-yl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-chloranyl-3-[2-[[5-[(1-methylnaphthalen-2-yl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[[4-allyl-5-[(1-methyl-2-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[2-[[5-[(1-methyl-2-naphthalenyl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-chloro-3-[[2-[[5-[(1-methylnaphthalen-2-yl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-allyl-5-[(1-methyl-2-naphthoxy)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-chloro-benzoic acid isopropyl ester Formula: C29H29ClN4O4S MolecularWeight: 565.08296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=CC=CC=C12)OCC3=NN=C(N3CC=C)SCC(=O)NC4=C(C=CC(=C4)C(=O)OC(C)C)Cl

Isomeric SMILES

CC1=C(C=CC2=CC=CC=C12)OCC3=NN=C(N3CC=C)SCC(=O)NC4=C(C=CC(=C4)C(=O)OC(C)C)Cl

InChI

InChI=1S/C29H29ClN4O4S/c1-5-14-34-26(16-37-25-13-11-20-8-6-7-9-22(20)19(25)4)32-33-29(34)39-17-27(35)31-24-15-21(10-12-23(24)30)28(36)38-18(2)3/h5-13,15,18H,1,14,16-17H2,2-4H3,(H,31,35)