ethyl 2-azanyl-4-(5-bromanylthiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(5-bromanylthiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(5-bromo-2-thienyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(5-bromo-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(5-bromothiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(5-bromo-2-thienyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=C(S3)Br)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC=C(S3)Br)C(=O)CCC2)N

InChI

InChI=1S/C16H16BrNO4S/c1-2-21-16(20)14-13(10-6-7-11(17)23-10)12-8(19)4-3-5-9(12)22-15(14)18/h6-7,13H,2-5,18H2,1H3