methyl (Z)-3-(2,3-dimethyl-1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-prop-2-enoate

Systemtic Name: methyl (Z)-3-(2,3-dimethyl-1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-prop-2-enoate Openeye Name: methyl (Z)-2-(tert-butoxycarbonylamino)-3-(2,3-dimethylbenzothiophen-7-yl)-3-phenyl-prop-2-enoate CAS Name: (Z)-3-(2,3-dimethyl-1-benzothiophen-7-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenyl-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(2,3-dimethyl-1-benzothiophen-7-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylprop-2-enoate Traditional Name: (Z)-2-(tert-butoxycarbonylamino)-3-(2,3-dimethylbenzothiophen-7-yl)-3-phenyl-acrylic acid methyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=CC=C2C(=C(C(=O)OC)NC(=O)OC(C)(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C=CC=C2/C(=C(/C(=O)OC)\NC(=O)OC(C)(C)C)/C3=CC=CC=C3)C

InChI

InChI=1S/C25H27NO4S/c1-15-16(2)31-22-18(15)13-10-14-19(22)20(17-11-8-7-9-12-17)21(23(27)29-6)26-24(28)30-25(3,4)5/h7-14H,1-6H3,(H,26,28)/b21-20-