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

Systemtic Name: S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic 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] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]carbamoylamino] ester Formula: C23H19N3O6S MolecularWeight: 465.47846

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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)OC

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)OC

InChI

InChI=1S/C23H19N3O6S/c1-30-19-10-7-13(11-20(19)31-2)22(28)33-26-23(29)24-14-8-9-17(27)15(12-14)21-25-16-5-3-4-6-18(16)32-21/h3-12,25H,1-2H3,(H2,24,26,29)/b21-15-