4-(3H-1,3-benzothiazol-2-ylidene)-5-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]pentanoate

Systemtic Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-[3,5-bis(bromanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]pentanoate Openeye Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dibromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)pentanoate CAS Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dibromo-4-oxo-1-cyclohexa-2,5-dienylidene)pentanoate IUPAC Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)pentanoate Traditional Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dibromo-4-keto-cyclohexa-2,5-dien-1-ylidene)valerate Formula: C18H12Br2NO3S- MolecularWeight: 482.16578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(CCC(=O)[O-])C=C3C=C(C(=O)C(=C3)Br)Br)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(CCC(=O)[O-])C=C3C=C(C(=O)C(=C3)Br)Br)S2

InChI

InChI=1S/C18H13Br2NO3S/c19-12-8-10(9-13(20)17(12)24)7-11(5-6-16(22)23)18-21-14-3-1-2-4-15(14)25-18/h1-4,7-9,21H,5-6H2,(H,22,23)/p-1