2-[3-(benzotriazol-2-yl)-4-oxidanyl-phenyl]ethyl 2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylsulfanyl]ethanoate

Systemtic Name: 2-[3-(benzotriazol-2-yl)-4-oxidanyl-phenyl]ethyl 2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylsulfanyl]ethanoate Openeye Name: 2-[3-(benzotriazol-2-yl)-4-hydroxy-phenyl]ethyl 2-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylsulfanyl]acetate CAS Name: 2-[[[2-[3-(1-methylethenyl)phenyl]propan-2-ylamino]-oxomethyl]thio]acetic acid 2-[3-(2-benzotriazolyl)-4-hydroxyphenyl]ethyl ester IUPAC Name: 2-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]ethyl 2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylsulfanyl]acetate Traditional Name: 2-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylthio]acetic acid 2-[3-(benzotriazol-2-yl)-4-hydroxy-phenyl]ethyl ester Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)SCC(=O)OCCC2=CC(=C(C=C2)O)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)SCC(=O)OCCC2=CC(=C(C=C2)O)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C29H30N4O4S/c1-19(2)21-8-7-9-22(17-21)29(3,4)30-28(36)38-18-27(35)37-15-14-20-12-13-26(34)25(16-20)33-31-23-10-5-6-11-24(23)32-33/h5-13,16-17,34H,1,14-15,18H2,2-4H3,(H,30,36)