ethyl 2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(E)-3-(2-chlorophenyl)acryloyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=CC=C3Cl)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=CC=C3Cl)S2)C

InChI

InChI=1S/C20H17ClN2O3S/c1-3-26-19(25)14-8-10-16-17(12-14)27-20(23(16)2)22-18(24)11-9-13-6-4-5-7-15(13)21/h4-12H,3H2,1-2H3/b11-9+,22-20?