methyl 4-[[6-acetamido-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate

Systemtic Name: methyl 4-[[6-acetamido-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[6-acetamido-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[6-acetamido-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-acetamido-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[6-acetamido-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)OC)S2)CC(=O)OC

InChI

InChI=1S/C21H19N3O6S/c1-12(25)22-15-8-9-16-17(10-15)31-21(24(16)11-18(26)29-2)23-19(27)13-4-6-14(7-5-13)20(28)30-3/h4-10H,11H2,1-3H3,(H,22,25)