methyl (E)-3-(4-bromophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

Systemtic Name: methyl (E)-3-(4-bromophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate Openeye Name: methyl (E)-3-(4-bromophenyl)sulfanyl-2-(tert-butoxycarbonylamino)prop-2-enoate CAS Name: (E)-3-[(4-bromophenyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-bromophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate Traditional Name: (E)-3-[(4-bromophenyl)thio]-2-(tert-butoxycarbonylamino)acrylic acid methyl ester Formula: C15H18BrNO4S MolecularWeight: 388.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=CSC1=CC=C(C=C1)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=C/SC1=CC=C(C=C1)Br)/C(=O)OC

InChI

InChI=1S/C15H18BrNO4S/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-22-11-7-5-10(16)6-8-11/h5-9H,1-4H3,(H,17,19)/b12-9+