methyl (E)-5-[4-(1-benzothiophen-3-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-en-4-ynoate

Systemtic Name: methyl (E)-5-[4-(1-benzothiophen-3-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-en-4-ynoate Openeye Name: methyl (E)-5-[4-(benzothiophen-3-yl)phenyl]-2-(tert-butoxycarbonylamino)pent-2-en-4-ynoate CAS Name: (E)-5-[4-(1-benzothiophen-3-yl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pent-2-en-4-ynoic acid methyl ester IUPAC Name: methyl (E)-5-[4-(1-benzothiophen-3-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-en-4-ynoate Traditional Name: (E)-5-[4-(benzothiophen-3-yl)phenyl]-2-(tert-butoxycarbonylamino)pent-2-en-4-ynoic acid methyl ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=CC#CC1=CC=C(C=C1)C2=CSC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=C/C#CC1=CC=C(C=C1)C2=CSC3=CC=CC=C32)/C(=O)OC

InChI

InChI=1S/C25H23NO4S/c1-25(2,3)30-24(28)26-21(23(27)29-4)10-7-8-17-12-14-18(15-13-17)20-16-31-22-11-6-5-9-19(20)22/h5-6,9-16H,1-4H3,(H,26,28)/b21-10+