octyl 2-[[6-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: octyl 2-[[6-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: octyl 2-[[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,3-benzothiazol-2-yl]thio]acetic acid octyl ester IUPAC Name: octyl 2-[[6-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]thio]acetic acid octyl ester Formula: C24H28N2O3S2 MolecularWeight: 456.62072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC=C3C=CC=CC3=O

Isomeric SMILES

CCCCCCCCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC=C3C=CC=CC3=O

InChI

InChI=1S/C24H28N2O3S2/c1-2-3-4-5-6-9-14-29-23(28)17-30-24-26-20-13-12-19(15-22(20)31-24)25-16-18-10-7-8-11-21(18)27/h7-8,10-13,15-16,25H,2-6,9,14,17H2,1H3