(Z)-2-(4-cyanophenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)but-2-enoic acid

Systemtic Name: (Z)-2-(4-cyanophenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)but-2-enoic acid Openeye Name: (Z)-2-(4-cyanophenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)but-2-enoic acid CAS Name: (Z)-2-(4-cyanophenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)-2-butenoic acid IUPAC Name: (Z)-2-(4-cyanophenyl)-3-(5,6-dimethoxy-1-benzothiophen-2-yl)but-2-enoic acid Traditional Name: (Z)-2-(4-cyanophenyl)-3-(5,6-dimethoxybenzothiophen-2-yl)but-2-enoic acid Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=CC=C(C=C1)C#N)C(=O)O)C2=CC3=CC(=C(C=C3S2)OC)OC

Isomeric SMILES

C/C(=C(\C1=CC=C(C=C1)C#N)/C(=O)O)/C2=CC3=CC(=C(C=C3S2)OC)OC

InChI

InChI=1S/C21H17NO4S/c1-12(20(21(23)24)14-6-4-13(11-22)5-7-14)18-9-15-8-16(25-2)17(26-3)10-19(15)27-18/h4-10H,1-3H3,(H,23,24)/b20-12-