ethyl 2-bromanyl-6-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]pyridine-4-carboxylate

Systemtic Name: ethyl 2-bromanyl-6-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]pyridine-4-carboxylate Openeye Name: ethyl 2-bromo-6-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]pyridine-4-carboxylate CAS Name: 2-bromo-6-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-bromo-6-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]pyridine-4-carboxylate Traditional Name: 2-bromo-6-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]isonicotinic acid ethyl ester Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC(=C1)Br)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=NC(=C1)Br)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C18H19BrN2O4S/c1-3-25-17(22)10-8-13(19)20-14(9-10)21-16-15(18(23)24-2)11-6-4-5-7-12(11)26-16/h8-9H,3-7H2,1-2H3,(H,20,21)