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

Systemtic Name: methyl 3-ethyl-2-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-[(E)-3-(5-nitro-2-thienyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[(E)-3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[(E)-3-(5-nitro-2-thienyl)acryloyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S2/c1-3-20-13-7-4-11(17(23)26-2)10-14(13)28-18(20)19-15(22)8-5-12-6-9-16(27-12)21(24)25/h4-10H,3H2,1-2H3/b8-5+,19-18?