5-(3H-1,3-benzothiazol-2-ylidene)-6-(3-chloranyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hexanoic acid

Systemtic Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3-chloranyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hexanoic acid Openeye Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3-chloro-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hexanoic acid CAS Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3-chloro-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)hexanoic acid IUPAC Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3-chloro-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)hexanoic acid Traditional Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3-chloro-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)hexanoic acid Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2NC3=CC=CC=C3S2)CCCC(=O)O)C=C(C1=O)Cl

Isomeric SMILES

COC1=CC(=CC(=C2NC3=CC=CC=C3S2)CCCC(=O)O)C=C(C1=O)Cl

InChI

InChI=1S/C20H18ClNO4S/c1-26-16-11-12(10-14(21)19(16)25)9-13(5-4-8-18(23)24)20-22-15-6-2-3-7-17(15)27-20/h2-3,6-7,9-11,22H,4-5,8H2,1H3,(H,23,24)