ethyl 2-[2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[(Z)-3-(5-nitro-2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(Z)-3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[(Z)-3-(5-nitro-2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)/C=C\C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S2/c1-2-26-17(23)11-20-13-5-3-4-6-14(13)28-18(20)19-15(22)9-7-12-8-10-16(27-12)21(24)25/h3-10H,2,11H2,1H3/b9-7-,19-18?