(6E)-6-[6-(pyrrolidin-1-ylmethyl)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[6-(pyrrolidin-1-ylmethyl)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[6-(pyrrolidin-1-ylmethyl)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[6-(1-pyrrolidinylmethyl)-3H-1,3-benzothiazol-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[6-(pyrrolidin-1-ylmethyl)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[6-(pyrrolidinomethyl)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC3=C(C=C2)NC(=C4C=CC=CC4=O)S3

Isomeric SMILES

C1CCN(C1)CC2=CC3=C(C=C2)N/C(=C\4/C=CC=CC4=O)/S3

InChI

InChI=1S/C18H18N2OS/c21-16-6-2-1-5-14(16)18-19-15-8-7-13(11-17(15)22-18)12-20-9-3-4-10-20/h1-2,5-8,11,19H,3-4,9-10,12H2/b18-14+