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

Systemtic Name: ethyl 3-methyl-2-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-])S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-])S2)C

InChI

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