(E)-4-(1-benzothiophen-3-ylmethylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(1-benzothiophen-3-ylmethylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(benzothiophen-3-ylmethylamino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(1-benzothiophen-3-ylmethylamino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(1-benzothiophen-3-ylmethylamino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(benzothiophen-3-ylmethylamino)-4-keto-but-2-enoic acid Formula: C13H11NO3S MolecularWeight: 261.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H11NO3S/c15-12(5-6-13(16)17)14-7-9-8-18-11-4-2-1-3-10(9)11/h1-6,8H,7H2,(H,14,15)(H,16,17)/b6-5+