ethanedioic acid; propan-2-yl 2-[2-(ethylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethanedioic acid; propan-2-yl 2-[2-(ethylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(ethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(ethylamino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl 2-[[2-(ethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(ethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester; oxalic acid Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCNCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O3S.C2H2O4/c1-4-17-9-13(19)18-15-14(16(20)21-10(2)3)11-7-5-6-8-12(11)22-15;3-1(4)2(5)6/h10,17H,4-9H2,1-3H3,(H,18,19);(H,3,4)(H,5,6)