(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CSC(=N3)NC(=O)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CSC(=N3)NC(=O)C)Cl

InChI

InChI=1S/C18H15ClN2O5S/c1-3-10-4-15-12(6-13(10)19)11(5-16(23)26-15)7-25-17(24)14-8-27-18(21-14)20-9(2)22/h4-6,8H,3,7H2,1-2H3,(H,20,21,22)