[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=NC=CN=C3N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C18H20N4O5S/c1-2-26-17(24)13-10-5-3-4-6-11(10)28-16(13)22-12(23)9-27-18(25)14-15(19)21-8-7-20-14/h7-8H,2-6,9H2,1H3,(H2,19,21)(H,22,23)