3-(3H-1,3-benzothiazol-2-ylidene)-4-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)butanoate

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)butanoate Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)butanoate CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)butanoate IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)butanoate Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)butyrate Formula: C18H13BrNO4S- MolecularWeight: 419.26912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2NC3=CC=CC=C3S2)CC(=O)[O-])C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CC(=C2NC3=CC=CC=C3S2)CC(=O)[O-])C=C(C1=O)Br

InChI

InChI=1S/C18H14BrNO4S/c1-24-14-8-10(7-12(19)17(14)23)6-11(9-16(21)22)18-20-13-4-2-3-5-15(13)25-18/h2-8,20H,9H2,1H3,(H,21,22)/p-1