ethyl 2-[4-(diethylamino)phenyl]carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(diethylamino)phenyl]carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-[4-(diethylamino)benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(diethylamino)phenyl]-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(diethylamino)benzoyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[4-(diethylamino)benzoyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC=C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC=C

InChI

InChI=1S/C24H27N3O3S/c1-5-15-27-20-14-11-18(23(29)30-8-4)16-21(20)31-24(27)25-22(28)17-9-12-19(13-10-17)26(6-2)7-3/h5,9-14,16H,1,6-8,15H2,2-4H3