ethyl 1-azanyl-4-cyano-3-(4-propan-2-ylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylate

Systemtic Name: ethyl 1-azanyl-4-cyano-3-(4-propan-2-ylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylate Openeye Name: ethyl 1-amino-4-cyano-3-(4-isopropylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylate CAS Name: 1-amino-4-cyano-3-(4-propan-2-ylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-amino-4-cyano-3-(4-propan-2-ylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylate Traditional Name: 1-amino-4-cyano-3-p-cumenyl-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylic acid ethyl ester Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C3=CC=CC=C3SC2=C(C1C4=CC=C(C=C4)C(C)C)C#N)N

Isomeric SMILES

CCOC(=O)C1=C(N2C3=CC=CC=C3SC2=C(C1C4=CC=C(C=C4)C(C)C)C#N)N

InChI

InChI=1S/C24H23N3O2S/c1-4-29-24(28)21-20(16-11-9-15(10-12-16)14(2)3)17(13-25)23-27(22(21)26)18-7-5-6-8-19(18)30-23/h5-12,14,20H,4,26H2,1-3H3