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

Systemtic Name: S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoylamino] 3-chloranyl-4-methoxy-benzenecarbothioate Openeye Name: S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamoylamino] 3-chloro-4-methoxy-benzenecarbothioate CAS Name: 3-chloro-4-methoxybenzenecarbothioic acid S-[[[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamoylamino] 3-chloro-4-methoxybenzenecarbothioate Traditional Name: 3-chloro-4-methoxy-thiobenzoic acid S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]carbamoylamino] ester Formula: C22H16ClN3O5S MolecularWeight: 469.89754

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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=C4O3)C(=O)C=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=C/C(=C/3\NC4=CC=CC=C4O3)/C(=O)C=C2)Cl

InChI

InChI=1S/C22H16ClN3O5S/c1-30-18-9-6-12(10-15(18)23)21(28)32-26-22(29)24-13-7-8-17(27)14(11-13)20-25-16-4-2-3-5-19(16)31-20/h2-11,25H,1H3,(H2,24,26,29)/b20-14-