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

Systemtic Name: methyl 2-[6-methylsulfonyl-2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methylsulfonyl-2-[(Z)-3-(5-nitro-2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-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-methylsulfonyl-2-[(Z)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-[(Z)-3-(5-nitro-2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H15N3O7S3 MolecularWeight: 481.5226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O7S3/c1-28-17(23)10-20-13-6-5-12(31(2,26)27)9-14(13)30-18(20)19-15(22)7-3-11-4-8-16(29-11)21(24)25/h3-9H,10H2,1-2H3/b7-3-,19-18?