methyl (E)-3-[4-[(2,3-dimethyl-1-benzothiophen-7-yl)amino]phenyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[(2,3-dimethyl-1-benzothiophen-7-yl)amino]phenyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate Openeye Name: methyl (E)-2-(tert-butoxycarbonylamino)-3-[4-[(2,3-dimethylbenzothiophen-7-yl)amino]phenyl]sulfanyl-prop-2-enoate CAS Name: (E)-3-[[4-[(2,3-dimethyl-1-benzothiophen-7-yl)amino]phenyl]thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[(2,3-dimethyl-1-benzothiophen-7-yl)amino]phenyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate Traditional Name: (E)-2-(tert-butoxycarbonylamino)-3-[[4-[(2,3-dimethylbenzothiophen-7-yl)amino]phenyl]thio]acrylic acid methyl ester Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=CC=C2NC3=CC=C(C=C3)SC=C(C(=O)OC)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C=CC=C2NC3=CC=C(C=C3)S/C=C(\C(=O)OC)/NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H28N2O4S2/c1-15-16(2)33-22-19(15)8-7-9-20(22)26-17-10-12-18(13-11-17)32-14-21(23(28)30-6)27-24(29)31-25(3,4)5/h7-14,26H,1-6H3,(H,27,29)/b21-14+