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

Systemtic Name: ethyl 2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C17H18BrNO4S MolecularWeight: 412.29812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO4S/c1-3-22-17(21)15-14(12-7-9(18)8(2)24-12)13-10(20)5-4-6-11(13)23-16(15)19/h7,14H,3-6,19H2,1-2H3