(6E)-3-chloranyl-6-[5-(pyrrolidin-1-ylmethyl)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-3-chloranyl-6-[5-(pyrrolidin-1-ylmethyl)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-3-chloro-6-[5-(pyrrolidin-1-ylmethyl)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-3-chloro-6-[5-(1-pyrrolidinylmethyl)-3H-1,3-benzothiazol-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-3-chloro-6-[5-(pyrrolidin-1-ylmethyl)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-3-chloro-6-[5-(pyrrolidinomethyl)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C18H17ClN2OS MolecularWeight: 344.85838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC3=C(C=C2)SC(=C4C=CC(=CC4=O)Cl)N3

Isomeric SMILES

C1CCN(C1)CC2=CC3=C(C=C2)S/C(=C/4\C=CC(=CC4=O)Cl)/N3

InChI

InChI=1S/C18H17ClN2OS/c19-13-4-5-14(16(22)10-13)18-20-15-9-12(3-6-17(15)23-18)11-21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8,11H2/b18-14+