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

Systemtic Name: ethyl 1-azanyl-4-cyano-3-(3-methoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylate Openeye Name: ethyl 1-amino-4-cyano-3-(3-methoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylate CAS Name: 1-amino-4-cyano-3-(3-methoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-amino-4-cyano-3-(3-methoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylate Traditional Name: 1-amino-4-cyano-3-(3-methoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2-carboxylic acid ethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-3-28-22(26)19-18(13-7-6-8-14(11-13)27-2)15(12-23)21-25(20(19)24)16-9-4-5-10-17(16)29-21/h4-11,18H,3,24H2,1-2H3