[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C18H15ClN2O4S/c1-10(16(22)21-17-11(8-20)4-5-26-17)25-18(23)13-6-12-7-14(19)2-3-15(12)24-9-13/h2-5,7,10,13H,6,9H2,1H3,(H,21,22)