tert-butyl N-[[4-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[allyl-[(5-chloro-2-thienyl)methyl]carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylcarbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[allyl-[(5-chloro-2-thienyl)methyl]carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N(CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N(CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-5-12-24(14-17-10-11-18(22)28-17)19(25)16-8-6-15(7-9-16)13-23-20(26)27-21(2,3)4/h5-11H,1,12-14H2,2-4H3,(H,23,26)