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

Systemtic Name: methyl 4-[[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-13(25)22-16-8-9-17-18(12-16)30-21(24(17)10-11-28-2)23-19(26)14-4-6-15(7-5-14)20(27)29-3/h4-9,12H,10-11H2,1-3H3,(H,22,25)