[2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl] ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)COC(=O)C1=CC2=CC=CC=C2S1

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)COC(=O)C1=CC2=CC=CC=C2S1

InChI

InChI=1S/C16H18N2O4S/c1-3-17-15(20)10(2)18-14(19)9-22-16(21)13-8-11-6-4-5-7-12(11)23-13/h4-8,10H,3,9H2,1-2H3,(H,17,20)(H,18,19)/t10-/m0/s1