(6Z)-3-chloranyl-6-[6-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-3-chloranyl-6-[6-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-3-chloro-6-[6-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-3-chloro-6-[6-[2-hydroxy-3-(1-pyrrolidinyl)propoxy]-3H-1,3-benzothiazol-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-3-chloro-6-[6-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-3-chloro-6-[6-(2-hydroxy-3-pyrrolidino-propoxy)-3H-1,3-benzothiazol-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(COC2=CC3=C(C=C2)NC(=C4C=CC(=CC4=O)Cl)S3)O

Isomeric SMILES

C1CCN(C1)CC(COC2=CC3=C(C=C2)N/C(=C/4\C=CC(=CC4=O)Cl)/S3)O

InChI

InChI=1S/C20H21ClN2O3S/c21-13-3-5-16(18(25)9-13)20-22-17-6-4-15(10-19(17)27-20)26-12-14(24)11-23-7-1-2-8-23/h3-6,9-10,14,22,24H,1-2,7-8,11-12H2/b20-16-