ethyl (2E)-2-[(2E)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-3H-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl (2E)-2-[(2E)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-3H-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2E)-2-[(2E)-2-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-3H-1,3-benzothiazole-6-carboxylate CAS Name: (2E)-2-[(2E)-2-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-3H-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-3H-1,3-benzothiazole-6-carboxylate Traditional Name: (2E)-2-[(2E)-2-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)ethylidene]-3H-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=CC=C3C=CC(=O)C(=C3)O)S2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N/C(=C\C=C\3/C=CC(=O)C(=C3)O)/S2

InChI

InChI=1S/C18H15NO4S/c1-2-23-18(22)12-5-6-13-16(10-12)24-17(19-13)8-4-11-3-7-14(20)15(21)9-11/h3-10,19,21H,2H2,1H3/b11-4+,17-8+