S-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate

Systemtic Name: S-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate Openeye Name: S-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate CAS Name: 4-methoxy-3-nitrobenzenecarbothioic acid S-[[[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamoylamino] 4-methoxy-3-nitrobenzenecarbothioate Traditional Name: 4-methoxy-3-nitro-thiobenzoic acid S-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]carbamoylamino] ester Formula: C22H16N4O6S2 MolecularWeight: 496.51564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=C/C(=C/3\NC4=CC=CC=C4S3)/C(=O)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O6S2/c1-32-18-9-6-12(10-16(18)26(30)31)21(28)34-25-22(29)23-13-7-8-17(27)14(11-13)20-24-15-4-2-3-5-19(15)33-20/h2-11,24H,1H3,(H2,23,25,29)/b20-14-