methyl 2-[6-nitro-2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-nitro-2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-nitro-2-[(Z)-3-(5-nitro-2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[(Z)-3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-nitro-2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-[(Z)-3-(5-nitro-2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H12N4O7S2 MolecularWeight: 448.42978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O7S2/c1-28-16(23)9-19-12-5-2-10(20(24)25)8-13(12)30-17(19)18-14(22)6-3-11-4-7-15(29-11)21(26)27/h2-8H,9H2,1H3/b6-3-,18-17?