1,3-benzothiazol-2-ylmethyl (E)-3-(5-nitrothiophen-2-yl)prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(5-nitrothiophen-2-yl)prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(5-nitro-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-thiophenyl)-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-(5-nitrothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-thienyl)acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C15H10N2O4S2 MolecularWeight: 346.3809

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O4S2/c18-15(8-6-10-5-7-14(22-10)17(19)20)21-9-13-16-11-3-1-2-4-12(11)23-13/h1-8H,9H2/b8-6+