ethyl 4-cyclopropyl-2-[2-[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-[2-[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[4-[2-(allylamino)-2-oxo-ethyl]piperazin-1-yl]propanoylamino]-4-cyclopropyl-thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[1-oxo-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazinyl]propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxylate Traditional Name: 2-[2-[4-[2-(allylamino)-2-keto-ethyl]piperazino]propanoylamino]-4-cyclopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C(C)N3CCN(CC3)CC(=O)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C(C)N3CCN(CC3)CC(=O)NCC=C

InChI

InChI=1S/C22H32N4O4S/c1-4-8-23-18(27)13-25-9-11-26(12-10-25)15(3)20(28)24-21-19(22(29)30-5-2)17(14-31-21)16-6-7-16/h4,14-16H,1,5-13H2,2-3H3,(H,23,27)(H,24,28)