4-[(1,3-benzothiazol-2-ylamino)methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(1,3-benzothiazol-2-ylamino)methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[(1,3-benzothiazol-2-ylamino)methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[(1,3-benzothiazol-2-ylamino)methylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(1,3-benzothiazol-2-ylamino)methylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[(1,3-benzothiazol-2-ylamino)methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNC2=NC3=CC=CC=C3S2)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=CNC2=NC3=CC=CC=C3S2)C=C(C1=O)OC

InChI

InChI=1S/C16H14N2O3S/c1-20-12-7-10(8-13(21-2)15(12)19)9-17-16-18-11-5-3-4-6-14(11)22-16/h3-9H,1-2H3,(H,17,18)