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

Systemtic Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)pentanoate Openeye Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)pentanoate CAS Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)pentanoate IUPAC Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)pentanoate Traditional Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)valerate Formula: C20H18NO3S- MolecularWeight: 352.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)CCC(=O)[O-])C=C(C1=O)C

Isomeric SMILES

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)CCC(=O)[O-])C=C(C1=O)C

InChI

InChI=1S/C20H19NO3S/c1-12-9-14(10-13(2)19(12)24)11-15(7-8-18(22)23)20-21-16-5-3-4-6-17(16)25-20/h3-6,9-11,21H,7-8H2,1-2H3,(H,22,23)/p-1