[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 6-chloranyl-2H-chromene-3-carboxylate

Systemtic Name: [2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 6-chloranyl-2H-chromene-3-carboxylate Openeye Name: [2-[ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]-2-oxo-ethyl] 6-chloro-2H-chromene-3-carboxylate CAS Name: 6-chloro-2H-1-benzopyran-3-carboxylic acid [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate Traditional Name: 6-chloro-2H-chromene-3-carboxylic acid [2-[ethyl-[2-keto-2-(2-thenylamino)ethyl]amino]-2-keto-ethyl] ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C21H21ClN2O5S/c1-2-24(11-19(25)23-10-17-4-3-7-30-17)20(26)13-29-21(27)15-8-14-9-16(22)5-6-18(14)28-12-15/h3-9H,2,10-13H2,1H3,(H,23,25)