ethyl 3-azanyl-4-(1,3-benzothiazol-2-yl)-5-[(4-fluorophenyl)amino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-(1,3-benzothiazol-2-yl)-5-[(4-fluorophenyl)amino]thiophene-2-carboxylate Openeye Name: ethyl 3-amino-4-(1,3-benzothiazol-2-yl)-5-(4-fluoroanilino)thiophene-2-carboxylate CAS Name: 3-amino-4-(1,3-benzothiazol-2-yl)-5-(4-fluoroanilino)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(1,3-benzothiazol-2-yl)-5-(4-fluoroanilino)thiophene-2-carboxylate Traditional Name: 3-amino-4-(1,3-benzothiazol-2-yl)-5-(4-fluoroanilino)thiophene-2-carboxylic acid ethyl ester Formula: C20H16FN3O2S2 MolecularWeight: 413.488343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C20H16FN3O2S2/c1-2-26-20(25)17-16(22)15(19-24-13-5-3-4-6-14(13)27-19)18(28-17)23-12-9-7-11(21)8-10-12/h3-10,23H,2,22H2,1H3