methyl 2-[[6-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S2/c1-25-16(22)9-26-17-19-13-4-2-11(7-15(13)27-17)18-8-10-6-12(20(23)24)3-5-14(10)21/h2-8,18H,9H2,1H3