methyl 4-[1,3-benzothiazol-2-yl-[(E)-furan-2-ylmethylideneamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[1,3-benzothiazol-2-yl-[(E)-furan-2-ylmethylideneamino]carbamoyl]benzoate Openeye Name: methyl 4-[1,3-benzothiazol-2-yl-[(E)-2-furylmethyleneamino]carbamoyl]benzoate CAS Name: 4-[[1,3-benzothiazol-2-yl-[(E)-2-furanylmethylideneamino]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzothiazol-2-yl-[(E)-furan-2-ylmethylideneamino]carbamoyl]benzoate Traditional Name: 4-[1,3-benzothiazol-2-yl-[(E)-2-furfurylideneamino]carbamoyl]benzoic acid methyl ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(C2=NC3=CC=CC=C3S2)N=CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(C2=NC3=CC=CC=C3S2)/N=C/C4=CC=CO4

InChI

InChI=1S/C21H15N3O4S/c1-27-20(26)15-10-8-14(9-11-15)19(25)24(22-13-16-5-4-12-28-16)21-23-17-6-2-3-7-18(17)29-21/h2-13H,1H3/b22-13+