ethyl 2-[2-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)ethanoylamino]-5-bromanyl-4-(bromomethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)ethanoylamino]-5-bromanyl-4-(bromomethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-amino-4-oxo-thiazol-5-yl)acetyl]amino]-5-bromo-4-(bromomethyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-5-bromo-4-(bromomethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]-5-bromo-4-(bromomethyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2-amino-4-keto-2-thiazolin-5-yl)acetyl]amino]-5-bromo-4-(bromomethyl)thiophene-3-carboxylic acid ethyl ester Formula: C13H13Br2N3O4S2 MolecularWeight: 499.19802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CBr)Br)NC(=O)CC2C(=O)N=C(S2)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CBr)Br)NC(=O)CC2C(=O)N=C(S2)N

InChI

InChI=1S/C13H13Br2N3O4S2/c1-2-22-12(21)8-5(4-14)9(15)24-11(8)17-7(19)3-6-10(20)18-13(16)23-6/h6H,2-4H2,1H3,(H,17,19)(H2,16,18,20)