thiophen-2-yl (E)-4-(1-benzothiophen-3-yl)-2-(hydroxymethyl)but-3-enoate

Systemtic Name: thiophen-2-yl (E)-4-(1-benzothiophen-3-yl)-2-(hydroxymethyl)but-3-enoate Openeye Name: 2-thienyl (E)-4-(benzothiophen-3-yl)-2-(hydroxymethyl)but-3-enoate CAS Name: (E)-4-(1-benzothiophen-3-yl)-2-(hydroxymethyl)-3-butenoic acid thiophen-2-yl ester IUPAC Name: thiophen-2-yl (E)-4-(1-benzothiophen-3-yl)-2-(hydroxymethyl)but-3-enoate Traditional Name: (E)-4-(benzothiophen-3-yl)-2-methylol-but-3-enoic acid 2-thienyl ester Formula: C17H14O3S2 MolecularWeight: 330.42126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)C=CC(CO)C(=O)OC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)/C=C/C(CO)C(=O)OC3=CC=CS3

InChI

InChI=1S/C17H14O3S2/c18-10-12(17(19)20-16-6-3-9-21-16)7-8-13-11-22-15-5-2-1-4-14(13)15/h1-9,11-12,18H,10H2/b8-7+