methyl (Z)-3-[4-(1-benzothiophen-3-yl)phenyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

Systemtic Name: methyl (Z)-3-[4-(1-benzothiophen-3-yl)phenyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate Openeye Name: methyl (Z)-3-[4-(benzothiophen-3-yl)phenyl]sulfanyl-2-(tert-butoxycarbonylamino)prop-2-enoate CAS Name: (Z)-3-[[4-(1-benzothiophen-3-yl)phenyl]thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-[4-(1-benzothiophen-3-yl)phenyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate Traditional Name: (Z)-3-[[4-(benzothiophen-3-yl)phenyl]thio]-2-(tert-butoxycarbonylamino)acrylic acid methyl ester Formula: C23H23NO4S2 MolecularWeight: 441.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=CSC1=CC=C(C=C1)C2=CSC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=C\SC1=CC=C(C=C1)C2=CSC3=CC=CC=C32)/C(=O)OC

InChI

InChI=1S/C23H23NO4S2/c1-23(2,3)28-22(26)24-19(21(25)27-4)14-29-16-11-9-15(10-12-16)18-13-30-20-8-6-5-7-17(18)20/h5-14H,1-4H3,(H,24,26)/b19-14-