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

Systemtic Name: methyl 3-ethyl-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[(E)-3-(3-nitrophenyl)acryloyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S/c1-3-22-16-9-8-14(19(25)28-2)12-17(16)29-20(22)21-18(24)10-7-13-5-4-6-15(11-13)23(26)27/h4-12H,3H2,1-2H3/b10-7+,21-20?