methyl 3-methyl-2-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-methyl-2-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-[(E)-3-(5-nitro-2-thienyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[(E)-3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-[(E)-3-(5-nitro-2-thienyl)acryloyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H13N3O5S2 MolecularWeight: 403.43222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S2/c1-19-12-6-3-10(16(22)25-2)9-13(12)27-17(19)18-14(21)7-4-11-5-8-15(26-11)20(23)24/h3-9H,1-2H3/b7-4+,18-17?