4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)pentanoate

Systemtic Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)pentanoate Openeye Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)pentanoate CAS Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)pentanoate IUPAC Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)pentanoate Traditional Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)valerate Formula: C20H18NO5S- MolecularWeight: 384.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5S/c1-25-15-10-12(11-16(26-2)19(15)24)9-13(7-8-18(22)23)20-21-14-5-3-4-6-17(14)27-20/h3-6,9-11,21H,7-8H2,1-2H3,(H,22,23)/p-1