methyl 4-[[(Z)-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(Z)-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]carbamoyl]benzoate Openeye Name: methyl 4-[[(Z)-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]carbamoyl]benzoate CAS Name: 4-[[[[(Z)-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(Z)-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]carbamoyl]benzoate Traditional Name: 4-[[(Z)-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiocarbamoyl]carbamoyl]benzoic acid methyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(/C(=N/C(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC)/S2)C

InChI

InChI=1S/C20H19N3O4S2/c1-4-27-14-9-10-15-16(11-14)29-20(23(15)2)22-19(28)21-17(24)12-5-7-13(8-6-12)18(25)26-3/h5-11H,4H2,1-3H3,(H,21,24,28)/b22-20-