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

Systemtic Name: ethyl 1-azanyl-4-cyano-3-(4-ethoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylate Openeye Name: ethyl 1-amino-4-cyano-3-(4-ethoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylate CAS Name: 1-amino-4-cyano-3-(4-ethoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-amino-4-cyano-3-(4-ethoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylate Traditional Name: 1-amino-4-cyano-3-p-phenetyl-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylic acid ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C3N(C4=CC=CC=C4S3)C(=C2C(=O)OCC)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C3N(C4=CC=CC=C4S3)C(=C2C(=O)OCC)N)C#N

InChI

InChI=1S/C23H21N3O3S/c1-3-28-15-11-9-14(10-12-15)19-16(13-24)22-26(17-7-5-6-8-18(17)30-22)21(25)20(19)23(27)29-4-2/h5-12,19H,3-4,25H2,1-2H3