N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrothiophene-2-carboxamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-5-nitro-thiophene-2-carboxamide Formula: C17H12N4O4S2 MolecularWeight: 400.43158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C17H12N4O4S2/c1-3-8-20-12-5-4-11(18-10(2)22)9-14(12)27-17(20)19-16(23)13-6-7-15(26-13)21(24)25/h1,4-7,9H,8H2,2H3,(H,18,22)