ethyl 2,7-dimethyl-4-oxidanyl-8-(phenylmethyl)pyrrolo[3,2-g][1,3]benzothiazole-6-carboxylate

Systemtic Name: ethyl 2,7-dimethyl-4-oxidanyl-8-(phenylmethyl)pyrrolo[3,2-g][1,3]benzothiazole-6-carboxylate Openeye Name: ethyl 8-benzyl-4-hydroxy-2,7-dimethyl-pyrrolo[3,2-g][1,3]benzothiazole-6-carboxylate CAS Name: 4-hydroxy-2,7-dimethyl-8-(phenylmethyl)-6-pyrrolo[3,2-g][1,3]benzothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 8-benzyl-4-hydroxy-2,7-dimethylpyrrolo[3,2-g][1,3]benzothiazole-6-carboxylate Traditional Name: 8-benzyl-4-hydroxy-2,7-dimethyl-pyrrolo[3,2-g][1,3]benzothiazole-6-carboxylic acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)N=C(S3)C)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)N=C(S3)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H20N2O3S/c1-4-26-21(25)17-12(2)23(11-14-8-6-5-7-9-14)19-15(17)10-16(24)18-20(19)27-13(3)22-18/h5-10,24H,4,11H2,1-3H3