7-azanyl-4-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]chromene-6-sulfonic acid

Systemtic Name: 7-azanyl-4-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]chromene-6-sulfonic acid Openeye Name: 7-amino-4-methyl-2-oxo-3-[2-oxo-2-(prop-2-ynylamino)ethyl]chromene-6-sulfonic acid CAS Name: 7-amino-4-methyl-2-oxo-3-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-benzopyran-6-sulfonic acid IUPAC Name: 7-amino-4-methyl-2-oxo-3-[2-oxo-2-(prop-2-ynylamino)ethyl]chromene-6-sulfonic acid Traditional Name: 7-amino-2-keto-3-[2-keto-2-(propargylamino)ethyl]-4-methyl-chromene-6-sulfonic acid Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)S(=O)(=O)O)N)CC(=O)NCC#C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)S(=O)(=O)O)N)CC(=O)NCC#C

InChI

InChI=1S/C15H14N2O6S/c1-3-4-17-14(18)6-10-8(2)9-5-13(24(20,21)22)11(16)7-12(9)23-15(10)19/h1,5,7H,4,6,16H2,2H3,(H,17,18)(H,20,21,22)