2-[(4,5,6,7-tetrahydro-1-benzothiophen-2-ylamino)methylidene]propanedioic acid

Systemtic Name: 2-[(4,5,6,7-tetrahydro-1-benzothiophen-2-ylamino)methylidene]propanedioic acid Openeye Name: 2-[(4,5,6,7-tetrahydrobenzothiophen-2-ylamino)methylene]propanedioic acid CAS Name: 2-[(4,5,6,7-tetrahydro-1-benzothiophen-2-ylamino)methylidene]propanedioic acid IUPAC Name: 2-[(4,5,6,7-tetrahydro-1-benzothiophen-2-ylamino)methylidene]propanedioic acid Traditional Name: 2-[(4,5,6,7-tetrahydrobenzothiophen-2-ylamino)methylene]malonic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO4S/c14-11(15)8(12(16)17)6-13-10-5-7-3-1-2-4-9(7)18-10/h5-6,13H,1-4H2,(H,14,15)(H,16,17)