methyl 3-ethyl-2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-ethyl-2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-[(E)-3-(4-nitrophenyl)acryloyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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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(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-3-22-16-10-7-14(19(25)28-2)12-17(16)29-20(22)21-18(24)11-6-13-4-8-15(9-5-13)23(26)27/h4-12H,3H2,1-2H3/b11-6+,21-20?