3-azanyl-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate

Systemtic Name: 3-azanyl-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carboxylate Openeye Name: 3-amino-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate CAS Name: 3-amino-2-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate IUPAC Name: 3-amino-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate Traditional Name: 3-amino-2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-6-keto-7H-thieno[2,3-b]pyridine-5-carboxylate Formula: C20H18N3O6S2- MolecularWeight: 460.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C4=C(S3)NC(=O)C(=C4)C(=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C4=C(S3)NC(=O)C(=C4)C(=O)[O-])N

InChI

InChI=1S/C20H19N3O6S2/c1-2-29-20(28)12-8-5-3-4-6-11(8)30-18(12)23-16(25)14-13(21)9-7-10(19(26)27)15(24)22-17(9)31-14/h7H,2-6,21H2,1H3,(H,22,24)(H,23,25)(H,26,27)/p-1