ethyl (4R)-6-azanyl-5-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4R)-6-azanyl-5-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4R)-6-amino-5-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-2-methyl-4H-pyran-3-carboxylate CAS Name: (4R)-6-amino-5-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-amino-5-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4R)-6-amino-5-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)N)C

InChI

InChI=1S/C22H19ClN2O3S/c1-3-27-22(26)17-12(2)28-20(24)19(18(17)13-8-10-14(23)11-9-13)21-25-15-6-4-5-7-16(15)29-21/h4-11,18H,3,24H2,1-2H3/t18-/m1/s1