2-[4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-[4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[4-[2-keto-2-(2-methoxyethylamino)ethyl]piperazino]-5-(2-thenoylamino)benzoic acid Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

COCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C21H26N4O5S/c1-30-11-6-22-19(26)14-24-7-9-25(10-8-24)17-5-4-15(13-16(17)21(28)29)23-20(27)18-3-2-12-31-18/h2-5,12-13H,6-11,14H2,1H3,(H,22,26)(H,23,27)(H,28,29)