2-dimethylaminoethyl 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: 2-dimethylaminoethyl 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-1-benzothiophene-2-carboxylate Openeye Name: 2-dimethylaminoethyl 3-[[(1E)-1-hydroxyiminoindan-5-yl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-1-benzothiophene-2-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[(1E)-1-hydroximinoindan-5-yl]amino]benzothiophene-2-carboxylic acid 2-dimethylaminoethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=C(C2=CC=CC=C2S1)NC3=CC4=C(C=C3)C(=NO)CC4

Isomeric SMILES

CN(C)CCOC(=O)C1=C(C2=CC=CC=C2S1)NC3=CC4=C(C=C3)/C(=N/O)/CC4

InChI

InChI=1S/C22H23N3O3S/c1-25(2)11-12-28-22(26)21-20(17-5-3-4-6-19(17)29-21)23-15-8-9-16-14(13-15)7-10-18(16)24-27/h3-6,8-9,13,23,27H,7,10-12H2,1-2H3/b24-18+